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

Systemtic Name: 3-[[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]methyl]benzonitrile hydrochloride CAS Name: 3-[[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-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(=C5)C#N.Cl

Isomeric SMILES

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

InChI

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