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

Systemtic Name: 3-[7-(4-ethanoylphenyl)-8-methoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7-(4-acetylphenyl)-2-keto-8-methoxy-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2OC)N(C(=O)CN=C3C4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C26H21N3O3/c1-16(30)18-7-9-19(10-8-18)21-12-22-23(13-24(21)32-3)29(2)25(31)15-28-26(22)20-6-4-5-17(11-20)14-27/h4-13H,15H2,1-3H3