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

Systemtic Name: azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone Openeye Name: azepan-1-yl-[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-3-thienyl]methanone CAS Name: 1-azepanyl-[5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-3-thiophenyl]methanone IUPAC Name: azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone Traditional Name: azepan-1-yl-[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-3-thienyl]methanone 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)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CS3)C(=O)N4CCCCCC4

InChI

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