6-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]hexanenitrile hydrochloride

Systemtic Name: 6-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]hexanenitrile hydrochloride Openeye Name: 6-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]hexanenitrile hydrochloride CAS Name: 6-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]hexanenitrile hydrochloride IUPAC Name: 6-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]hexanenitrile hydrochloride Traditional Name: 6-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]hexanenitrile hydrochloride Formula: C26H26ClN3O MolecularWeight: 431.95714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O.ClH/c27-17-9-2-1-8-16-26(20-21-14-18-28-19-15-21)23-12-6-7-13-24(23)29(25(26)30)22-10-4-3-5-11-22;/h3-7,10-15,18-19H,1-2,8-9,16,20H2;1H