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

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]but-3-en-1-one Openeye Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]but-3-en-1-one CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-3-buten-1-one IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]but-3-en-1-one Traditional Name: 1-[(3S)-3-[4-(o-tolyl)piperazino]piperidino]but-3-en-1-one Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O/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/h3-5,8,10,18H,1,6-7,9,11-16H2,2H3/t18-/m0/s1