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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3C2=O)CCC(C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3C2=O)CCC(C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

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