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

Systemtic Name: 4-[3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]benzonitrile CAS Name: 4-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]benzonitrile IUPAC Name: 4-[3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)phenyl]benzonitrile Traditional Name: 4-[3-(2-keto-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-5-yl)phenyl]benzonitrile Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21N3O3/c1-28-21-13-23(31-3)22(30-2)12-20(21)25(27-15-24(28)29)19-6-4-5-18(11-19)17-9-7-16(14-26)8-10-17/h4-13H,15H2,1-3H3