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

Systemtic Name: 3-[3-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[3-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[3-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[3-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[3-(3,4-dichlorobenzyl)-2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C26H21Cl2N3O3 MolecularWeight: 494.36924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC(=C4)C#N)OC)OC

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=NC(C1=O)CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC(=C4)C#N)OC)OC

InChI

InChI=1S/C26H21Cl2N3O3/c1-31-22-13-24(34-3)23(33-2)12-18(22)25(17-6-4-5-16(9-17)14-29)30-21(26(31)32)11-15-7-8-19(27)20(28)10-15/h4-10,12-13,21H,11H2,1-3H3