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

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(3,5-dimethoxy-4-oxidanyl-phenyl)propan-1-one; ethanedioic acid Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxy-phenyl)propan-1-one; oxalic acid CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone; oxalic acid IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one; oxalic acid Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-3-(4-hydroxy-3,5-dimethoxy-phenyl)propan-1-one; oxalic acid Formula: C25H37N3O9 MolecularWeight: 523.57598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5.C2H2O4/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;3-1(4)2(5)6/h15-16,29H,3-14,17H2,1-2H3;(H,3,4)(H,5,6)