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

Systemtic Name: 3-[7-(4-cyanophenyl)-8-methoxy-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7-(4-cyanophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7-(4-cyanophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7-(4-cyanophenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[7-(4-cyanophenyl)-2-keto-8-methoxy-1-methyl-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=C(C=C3)C#N)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=C(C=C3)C#N)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H18N4O2/c1-29-22-12-23(31-2)20(18-8-6-16(13-26)7-9-18)11-21(22)25(28-15-24(29)30)19-5-3-4-17(10-19)14-27/h3-12H,15H2,1-2H3