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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC(=C3C(C2=O)CC4=CC=NC=C4)CC5=CC=CC=C5C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC(=C3C(C2=O)CC4=CC=NC=C4)CC5=CC=CC=C5C#N.Cl

InChI

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