2-[[1-[2-(2-nitrophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride

Systemtic Name: 2-[[1-[2-(2-nitrophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Openeye Name: 2-[[1-[2-(2-nitrophenyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride CAS Name: 2-[[1-[2-(2-nitrophenyl)ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 2-[[1-[2-(2-nitrophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one hydrochloride Traditional Name: 2-[[1-[2-(2-nitrophenyl)ethyl]-4-piperidyl]methyl]isoindolin-1-one hydrochloride Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCC4=CC=CC=C4[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CCC4=CC=CC=C4[N+](=O)[O-].Cl

InChI

InChI=1S/C22H25N3O3.ClH/c26-22-20-7-3-1-6-19(20)16-24(22)15-17-9-12-23(13-10-17)14-11-18-5-2-4-8-21(18)25(27)28;/h1-8,17H,9-16H2;1H