1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]but-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(o-tolyl)piperazino]piperidino]but-2-yn-1-one Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC#CC(=O)N1CCC[C@@H](C1)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C20H27N3O/c1-3-7-20(24)23-11-6-9-18(16-23)21-12-14-22(15-13-21)19-10-5-4-8-17(19)2/h4-5,8,10,18H,6,9,11-16H2,1-2H3/t18-/m0/s1