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

Systemtic Name: 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-1-methyl-pyrrol-2-yl]methyl]azepan-2-one CAS Name: 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-pyrrolyl]methyl]-2-azepanone IUPAC Name: 1-[[1-methyl-5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[4-(2-isopropoxyphenyl)piperazino]methyl]-1-methyl-pyrrol-2-yl]methyl]azepan-2-one Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCCC4=O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(N3C)CN4CCCCCC4=O

InChI

InChI=1S/C26H38N4O2/c1-21(2)32-25-10-7-6-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-4-5-11-26(30)31/h6-7,9-10,12-13,21H,4-5,8,11,14-20H2,1-3H3