1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-3-thienyl]methyl]azepan-2-one CAS Name: 1-[[5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-3-thiophenyl]methyl]-2-azepanone IUPAC Name: 1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-3-thienyl]methyl]azepan-2-one Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CS3)CN4CCCCCC4=O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CS3)CN4CCCCCC4=O

InChI

InChI=1S/C25H35N3O2S/c1-20(2)30-24-9-6-5-8-23(24)27-14-12-26(13-15-27)18-22-16-21(19-31-22)17-28-11-7-3-4-10-25(28)29/h5-6,8-9,16,19-20H,3-4,7,10-15,17-18H2,1-2H3