2-[1-[3-(2-phenoxyphenyl)propyl]piperidin-4-yl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[1-[3-(2-phenoxyphenyl)propyl]piperidin-4-yl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[1-[3-(2-phenoxyphenyl)propyl]-4-piperidyl]isoindolin-1-one hydrochloride CAS Name: 2-[1-[3-(2-phenoxyphenyl)propyl]-4-piperidinyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[1-[3-(2-phenoxyphenyl)propyl]piperidin-4-yl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[1-[3-(2-phenoxyphenyl)propyl]-4-piperidyl]isoindolin-1-one hydrochloride Formula: C28H31ClN2O2 MolecularWeight: 463.01094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3C2=O)CCCC4=CC=CC=C4OC5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3C2=O)CCCC4=CC=CC=C4OC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H30N2O2.ClH/c31-28-26-14-6-4-10-23(26)21-30(28)24-16-19-29(20-17-24)18-8-11-22-9-5-7-15-27(22)32-25-12-2-1-3-13-25;/h1-7,9-10,12-15,24H,8,11,16-21H2;1H