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

Systemtic Name: 3-[1-[(2-chlorophenyl)methyl]-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[1-[(2-chlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[1-[(2-chlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[1-[(2-chlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[1-(2-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=CC=C3Cl)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CC3=CC=CC=C3Cl)C4=CC=CC(=C4)C#N)OC

InChI

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