1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(3,5-dimethoxy-4-oxidanyl-phenyl)propan-1-one

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(3,5-dimethoxy-4-oxidanyl-phenyl)propan-1-one Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxy-phenyl)propan-1-one CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-3-(4-hydroxy-3,5-dimethoxy-phenyl)propan-1-one Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C23H35N3O5/c1-30-19-15-18(16-20(31-2)23(19)29)7-8-21(27)26-13-11-24(12-14-26)17-22(28)25-9-5-3-4-6-10-25/h15-16,29H,3-14,17H2,1-2H3