3-(3,3-diphenylpropyl)-3-piperidin-4-yl-2H-isoindol-1-one hydrochloride

Systemtic Name: 3-(3,3-diphenylpropyl)-3-piperidin-4-yl-2H-isoindol-1-one hydrochloride Openeye Name: 3-(3,3-diphenylpropyl)-3-(4-piperidyl)isoindolin-1-one hydrochloride CAS Name: 3-(3,3-diphenylpropyl)-3-(4-piperidinyl)-2H-isoindol-1-one hydrochloride IUPAC Name: 3-(3,3-diphenylpropyl)-3-piperidin-4-yl-2H-isoindol-1-one hydrochloride Traditional Name: 3-(3,3-diphenylpropyl)-3-(4-piperidyl)isoindolin-1-one hydrochloride Formula: C28H31ClN2O MolecularWeight: 447.01154

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2(C3=CC=CC=C3C(=O)N2)CCC(C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CNCCC1C2(C3=CC=CC=C3C(=O)N2)CCC(C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C28H30N2O.ClH/c31-27-25-13-7-8-14-26(25)28(30-27,23-16-19-29-20-17-23)18-15-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22;/h1-14,23-24,29H,15-20H2,(H,30,31);1H