1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-yl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-yl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thienyl)butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-thiophen-2-yl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-2-ylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazino]-2-(2-thienyl)butan-1-one Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CS3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CS3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H35N3O2S/c1-30-23-10-5-4-9-22(23)27-18-16-26(17-19-27)15-12-21(24-11-8-20-31-24)25(29)28-13-6-2-3-7-14-28/h4-5,8-11,20-21H,2-3,6-7,12-19H2,1H3