3-(1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-1-methyl-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C23H17N3O MolecularWeight: 351.40058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H17N3O/c1-26-21-11-10-18(17-7-3-2-4-8-17)13-20(21)23(25-15-22(26)27)19-9-5-6-16(12-19)14-24/h2-13H,15H2,1H3