2-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]ethanenitrile chloride

Systemtic Name: 2-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]ethanenitrile chloride Openeye Name: 2-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]acetonitrile chloride CAS Name: 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]acetonitrile chloride IUPAC Name: 2-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]acetonitrile chloride Traditional Name: 2-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]acetonitrile chloride Formula: C22H17ClN3O- MolecularWeight: 374.84288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC#N)CC4=CC=NC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC#N)CC4=CC=NC=C4.[Cl-]

InChI

InChI=1S/C22H17N3O.ClH/c23-13-12-22(16-17-10-14-24-15-11-17)19-8-4-5-9-20(19)25(21(22)26)18-6-2-1-3-7-18;/h1-11,14-15H,12,16H2;1H/p-1