1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]azepan-2-one

Systemtic Name: 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]azepan-2-one Openeye Name: 1-[[6-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]-2-pyridyl]methyl]azepan-2-one CAS Name: 1-[[6-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]-2-pyridinyl]methyl]-2-azepanone IUPAC Name: 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]azepan-2-one Traditional Name: 1-[[6-[[4-(2-isopropoxyphenyl)piperazino]methyl]-2-pyridyl]methyl]azepan-2-one Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=N3)CN4CCCCCC4=O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=N3)CN4CCCCCC4=O

InChI

InChI=1S/C26H36N4O2/c1-21(2)32-25-12-6-5-11-24(25)29-17-15-28(16-18-29)19-22-9-8-10-23(27-22)20-30-14-7-3-4-13-26(30)31/h5-6,8-12,21H,3-4,7,13-20H2,1-2H3