1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]-2-phenoxy-ethanone CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone Traditional Name: 1-[(3S)-3-[4-(o-tolyl)piperazino]piperidino]-2-phenoxy-ethanone Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCCN(C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2/c1-20-8-5-6-12-23(20)26-16-14-25(15-17-26)21-9-7-13-27(18-21)24(28)19-29-22-10-3-2-4-11-22/h2-6,8,10-12,21H,7,9,13-19H2,1H3/t21-/m0/s1