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

Systemtic Name: 2-[[1-[2-(2-butylpyrrol-2-yl)-2-oxidanylidene-ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[2-(2-butylpyrrol-2-yl)-2-oxo-ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[2-(2-butyl-2-pyrrolyl)-2-oxoethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[2-(2-butylpyrrol-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[2-(2-butylpyrrol-2-yl)-2-keto-ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C24H32ClN3O2 MolecularWeight: 429.98278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=N1)C(=O)CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.Cl

Isomeric SMILES

CCCCC1(C=CC=N1)C(=O)CN2CCC(CC2)CN3CC4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C24H31N3O2.ClH/c1-2-3-11-24(12-6-13-25-24)22(28)18-26-14-9-19(10-15-26)16-27-17-20-7-4-5-8-21(20)23(27)29;/h4-8,12-13,19H,2-3,9-11,14-18H2,1H3;1H