4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 4-(2-butyl-2-pyrrolyl)-2,3-dimethyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 4-(2-butylpyrrol-2-yl)-2,3-dimethyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C23H32ClN3O MolecularWeight: 401.97268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC=N1)C2=CC=CC3=C2C(N(C3=O)C)(C)C4CCNCC4.Cl

Isomeric SMILES

CCCCC1(C=CC=N1)C2=CC=CC3=C2C(N(C3=O)C)(C)C4CCNCC4.Cl

InChI

InChI=1S/C23H31N3O.ClH/c1-4-5-12-23(13-7-14-25-23)19-9-6-8-18-20(19)22(2,26(3)21(18)27)17-10-15-24-16-11-17;/h6-9,13-14,17,24H,4-5,10-12,15-16H2,1-3H3;1H