5-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile hydrochloride

Systemtic Name: 5-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile hydrochloride Openeye Name: 5-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]pentanenitrile hydrochloride CAS Name: 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]pentanenitrile hydrochloride IUPAC Name: 5-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]pentanenitrile hydrochloride Traditional Name: 5-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]valeronitrile hydrochloride Formula: C25H24ClN3O MolecularWeight: 417.93056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O.ClH/c26-16-8-2-7-15-25(19-20-13-17-27-18-14-20)22-11-5-6-12-23(22)28(24(25)29)21-9-3-1-4-10-21;/h1,3-6,9-14,17-18H,2,7-8,15,19H2;1H