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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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