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

Systemtic Name: 3-[1-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[1-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[1-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[1-[(3,4-dichlorophenyl)methyl]-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[1-(3,4-dichlorobenzyl)-2-keto-7,8-dimethoxy-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C25H19Cl2N3O3 MolecularWeight: 480.34266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19Cl2N3O3/c1-32-22-10-18-21(11-23(22)33-2)30(14-16-6-7-19(26)20(27)9-16)24(31)13-29-25(18)17-5-3-4-15(8-17)12-28/h3-11H,13-14H2,1-2H3