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

Systemtic Name: 4-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butanenitrile hydrochloride Openeye Name: 4-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]butanenitrile hydrochloride CAS Name: 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]butanenitrile hydrochloride IUPAC Name: 4-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]butanenitrile hydrochloride Traditional Name: 4-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]butyronitrile hydrochloride Formula: C24H22ClN3O MolecularWeight: 403.90398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O.ClH/c25-15-7-6-14-24(18-19-12-16-26-17-13-19)21-10-4-5-11-22(21)27(23(24)28)20-8-2-1-3-9-20;/h1-5,8-13,16-17H,6-7,14,18H2;1H