4-[[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)-3H-indol-4-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)-3H-indol-4-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-4-yl]methyl]benzonitrile hydrochloride CAS Name: 4-[[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3H-indol-4-yl]methyl]benzonitrile hydrochloride IUPAC Name: 4-[[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3H-indol-4-yl]methyl]benzonitrile hydrochloride Traditional Name: 4-[[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-4-yl]methyl]benzonitrile hydrochloride Formula: C28H22ClN3O MolecularWeight: 451.94678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC(=C3C(C2=O)CC4=CC=NC=C4)CC5=CC=C(C=C5)C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC(=C3C(C2=O)CC4=CC=NC=C4)CC5=CC=C(C=C5)C#N.Cl

InChI

InChI=1S/C28H21N3O.ClH/c29-19-22-11-9-20(10-12-22)17-23-5-4-8-26-27(23)25(18-21-13-15-30-16-14-21)28(32)31(26)24-6-2-1-3-7-24;/h1-16,25H,17-18H2;1H