3-(8-methoxy-1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(8-methoxy-1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C24H19N3O2 MolecularWeight: 381.42656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O2/c1-27-21-13-22(29-2)19(17-8-4-3-5-9-17)12-20(21)24(26-15-23(27)28)18-10-6-7-16(11-18)14-25/h3-13H,15H2,1-2H3