3-[1-[(4-chlorophenyl)methyl]-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[1-[(4-chlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[1-(4-chlorobenzyl)-2-keto-7,8-dimethoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CC3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CC3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C25H20ClN3O3/c1-31-22-11-20-21(12-23(22)32-2)29(15-16-6-8-19(26)9-7-16)24(30)14-28-25(20)18-5-3-4-17(10-18)13-27/h3-12H,14-15H2,1-2H3