7-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]heptanenitrile hydrochloride

Systemtic Name: 7-[2-oxidanylidene-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]heptanenitrile hydrochloride Openeye Name: 7-[2-oxo-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]heptanenitrile hydrochloride CAS Name: 7-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)-3-indolyl]heptanenitrile hydrochloride IUPAC Name: 7-[2-oxo-1-phenyl-3-(pyridin-4-ylmethyl)indol-3-yl]heptanenitrile hydrochloride Traditional Name: 7-[2-keto-1-phenyl-3-(4-pyridylmethyl)indolin-3-yl]enanthonitrile hydrochloride Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O.ClH/c28-18-10-3-1-2-9-17-27(21-22-15-19-29-20-16-22)24-13-7-8-14-25(24)30(26(27)31)23-11-5-4-6-12-23;/h4-8,11-16,19-20H,1-3,9-10,17,21H2;1H