3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-9-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(7,8-dimethoxy-1-methyl-2-oxidanylidene-9-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-9-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-9-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(7,8-dimethoxy-1-methyl-2-oxo-9-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-7,8-dimethoxy-1-methyl-9-phenyl-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=CC(=C(C(=C21)C3=CC=CC=C3)OC)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

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