2-[[1-[2-oxidanylidene-2-(2-phenylpyrrol-2-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[[1-[2-oxidanylidene-2-(2-phenylpyrrol-2-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[2-oxo-2-(2-phenylpyrrol-2-yl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[2-oxo-2-(2-phenyl-2-pyrrolyl)ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[2-oxo-2-(2-phenylpyrrol-2-yl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[2-keto-2-(2-phenylpyrrol-2-yl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C26H28ClN3O2 MolecularWeight: 449.97242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4(C=CC=N4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4(C=CC=N4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C26H27N3O2.ClH/c30-24(26(13-6-14-27-26)22-8-2-1-3-9-22)19-28-15-11-20(12-16-28)17-29-18-21-7-4-5-10-23(21)25(29)31;/h1-10,13-14,20H,11-12,15-19H2;1H