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

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]but-3-en-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-piperidyl]but-3-en-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-3-buten-1-one IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]but-3-en-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidino]but-3-en-1-one Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCCN(C3)C(=O)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCCN(C3)C(=O)CC=C

InChI

InChI=1S/C20H29N3O2/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/h3,7-10,18H,1,4-6,11-16H2,2H3/t18-/m0/s1