4-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-chlorophenyl)-oxomethyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-chlorobenzoyl)-2-keto-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzonitrile Formula: C24H18ClN3O2 MolecularWeight: 415.87162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C(=O)CN1C(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2=CC=CC=C2N(C(=O)CN1C(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H18ClN3O2/c25-21-11-9-19(10-12-21)24(30)27-15-20-3-1-2-4-22(20)28(23(29)16-27)14-18-7-5-17(13-26)6-8-18/h1-12H,14-16H2