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7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-oxo-(CAS No. 52372-36-8)

7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-oxo- C23H18N4O2 (cas 52372-36-8) Molecular Structure

52372-36-8 Structure

Identification and Related Records

【Name】
7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-oxo-
【CAS Registry number】
52372-36-8
【Synonyms】
3-(Diethylamino)-7-oxo-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile
【EINECS(EC#)】
257-884-8
【Molecular Formula】
C23H18N4O2 (Products with the same molecular formula)
【Molecular Weight】
382.42
【Inchi】
InChI=1/C23H18N4O2/c1-3-26(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)23(28)27-19-8-6-5-7-18(19)25-22(16)27/h5-12H,3-4H2,1-2H3
【Canonical SMILES】
CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=O)N4C3=NC5=CC=CC=C54)C#N)O2
【MOL File】
52372-36-8.mol

Chemical and Physical Properties

【Density】
1.34 g/cm3
【Boiling Point】
575.3 °C at 760 mmHg
【Refractive Index】
1.702
【Flash Point】
301.7 °C
【Computed Properties】
Molecular Weight:382.41462 [g/mol]
Molecular Formula:C23H18N4O2
XLogP3-AA:3.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:382.142976
MonoIsotopic Mass:382.142976
Topological Polar Surface Area:71.2
Heavy Atom Count:29
Formal Charge:0
Complexity:805
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Cation Count:1
Feature 3D Ring Count:5
Effective Rotor Count:3
Conformer Sampling RMSD:0.8
CID Conformer Count:2

Safety and Handling

【Specification】

 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-oxo- , its cas register number is 52372-36-8. It also can be called 3-(Diethylamino)-7-oxo-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile .

Supplier Location

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