3-(7,8-dimethoxy-2-oxidanylidene-1-phenethyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(7,8-dimethoxy-2-oxidanylidene-1-phenethyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7,8-dimethoxy-2-oxo-1-phenethyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7,8-dimethoxy-2-oxo-1-phenethyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7,8-dimethoxy-2-oxo-1-phenethyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-7,8-dimethoxy-1-phenethyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CCC3=CC=CC=C3)C4=CC=CC(=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NCC(=O)N2CCC3=CC=CC=C3)C4=CC=CC(=C4)C#N)OC

InChI

InChI=1S/C26H23N3O3/c1-31-23-14-21-22(15-24(23)32-2)29(12-11-18-7-4-3-5-8-18)25(30)17-28-26(21)20-10-6-9-19(13-20)16-27/h3-10,13-15H,11-12,17H2,1-2H3