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

Systemtic Name: 1-[[5-[[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[[4-(3-isopropoxyphenyl)piperazin-1-yl]methyl]-3-thienyl]methyl]azepan-2-one CAS Name: 1-[[5-[[4-(3-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-3-thiophenyl]methyl]-2-azepanone IUPAC Name: 1-[[5-[[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[4-(3-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(=C1)N2CCN(CC2)CC3=CC(=CS3)CN4CCCCCC4=O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)N2CCN(CC2)CC3=CC(=CS3)CN4CCCCCC4=O

InChI

InChI=1S/C25H35N3O2S/c1-20(2)30-23-8-6-7-22(16-23)27-13-11-26(12-14-27)18-24-15-21(19-31-24)17-28-10-5-3-4-9-25(28)29/h6-8,15-16,19-20H,3-5,9-14,17-18H2,1-2H3