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

Systemtic Name: 2-[[1-[(2-butylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[(2-butylpyrrol-2-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[(2-butyl-2-pyrrolyl)methyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[(2-butylpyrrol-2-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[(2-butylpyrrol-2-yl)methyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C23H32ClN3O MolecularWeight: 401.97268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O.ClH/c1-2-3-11-23(12-6-13-24-23)18-25-14-9-19(10-15-25)16-26-17-20-7-4-5-8-21(20)22(26)27;/h4-8,12-13,19H,2-3,9-11,14-18H2,1H3;1H