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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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