3-[8-methoxy-7-(2-methoxyphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[8-methoxy-7-(2-methoxyphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[2-keto-8-methoxy-7-(2-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2OC)NC(=O)CN=C3C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2OC)NC(=O)CN=C3C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H19N3O3/c1-29-21-9-4-3-8-17(21)18-11-19-20(12-22(18)30-2)27-23(28)14-26-24(19)16-7-5-6-15(10-16)13-25/h3-12H,14H2,1-2H3,(H,27,28)