2,3-dimethyl-4-[2-(phenylmethyl)pyrrol-2-yl]-3-piperidin-4-yl-isoindol-1-one hydrochloride

Systemtic Name: 2,3-dimethyl-4-[2-(phenylmethyl)pyrrol-2-yl]-3-piperidin-4-yl-isoindol-1-one hydrochloride Openeye Name: 4-(2-benzylpyrrol-2-yl)-2,3-dimethyl-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 2,3-dimethyl-4-[2-(phenylmethyl)-2-pyrrolyl]-3-(4-piperidinyl)-1-isoindolone hydrochloride IUPAC Name: 4-(2-benzylpyrrol-2-yl)-2,3-dimethyl-3-piperidin-4-ylisoindol-1-one hydrochloride Traditional Name: 4-(2-benzylpyrrol-2-yl)-2,3-dimethyl-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C26H30ClN3O MolecularWeight: 435.9889

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC=C2C3(C=CC=N3)CC4=CC=CC=C4)C(=O)N1C)C5CCNCC5.Cl

Isomeric SMILES

CC1(C2=C(C=CC=C2C3(C=CC=N3)CC4=CC=CC=C4)C(=O)N1C)C5CCNCC5.Cl

InChI

InChI=1S/C26H29N3O.ClH/c1-25(20-12-16-27-17-13-20)23-21(24(30)29(25)2)10-6-11-22(23)26(14-7-15-28-26)18-19-8-4-3-5-9-19;/h3-11,14-15,20,27H,12-13,16-18H2,1-2H3;1H