2-methyl-3-(3-oxidanylidenebutyl)-4-phenyl-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 2-methyl-3-(3-oxidanylidenebutyl)-4-phenyl-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 2-methyl-3-(3-oxobutyl)-4-phenyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 2-methyl-3-(3-oxobutyl)-4-phenyl-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 2-methyl-3-(3-oxobutyl)-4-phenyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 3-(3-ketobutyl)-2-methyl-4-phenyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C24H29ClN2O2 MolecularWeight: 412.95226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C2=C(C=CC=C2C(=O)N1C)C3=CC=CC=C3)C4CCNCC4.Cl

Isomeric SMILES

CC(=O)CCC1(C2=C(C=CC=C2C(=O)N1C)C3=CC=CC=C3)C4CCNCC4.Cl

InChI

InChI=1S/C24H28N2O2.ClH/c1-17(27)11-14-24(19-12-15-25-16-13-19)22-20(18-7-4-3-5-8-18)9-6-10-21(22)23(28)26(24)2;/h3-10,19,25H,11-16H2,1-2H3;1H