1-[[6-[[4-(4-chloranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]azepan-2-one

Systemtic Name: 1-[[6-[[4-(4-chloranyl-2-methoxy-phenyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]azepan-2-one Openeye Name: 1-[[6-[[4-(4-chloro-2-methoxy-phenyl)piperazin-1-yl]methyl]-2-pyridyl]methyl]azepan-2-one CAS Name: 1-[[6-[[4-(4-chloro-2-methoxyphenyl)-1-piperazinyl]methyl]-2-pyridinyl]methyl]-2-azepanone IUPAC Name: 1-[[6-[[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]pyridin-2-yl]methyl]azepan-2-one Traditional Name: 1-[[6-[[4-(4-chloro-2-methoxy-phenyl)piperazino]methyl]-2-pyridyl]methyl]azepan-2-one Formula: C24H31ClN4O2 MolecularWeight: 442.98154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)N2CCN(CC2)CC3=CC=CC(=N3)CN4CCCCCC4=O

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)N2CCN(CC2)CC3=CC=CC(=N3)CN4CCCCCC4=O

InChI

InChI=1S/C24H31ClN4O2/c1-31-23-16-19(25)9-10-22(23)28-14-12-27(13-15-28)17-20-6-5-7-21(26-20)18-29-11-4-2-3-8-24(29)30/h5-7,9-10,16H,2-4,8,11-15,17-18H2,1H3