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

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]but-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]but-2-yn-1-one Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-3-5-20(24)23-11-4-6-18(16-23)22-14-12-21(13-15-22)17-7-9-19(25-2)10-8-17/h7-10,18H,4,6,11-16H2,1-2H3/t18-/m0/s1