3-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4,5-dimethoxy-2-(1-pyrrolyl)phenyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4,5-dimethoxy-2-pyrrol-1-yl-phenyl)-1-[4-(2-methoxyphenyl)piperazino]propan-1-one Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3N4C=CC=C4)OC)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3N4C=CC=C4)OC)OC

InChI

InChI=1S/C26H31N3O4/c1-31-23-9-5-4-8-21(23)28-14-16-29(17-15-28)26(30)11-10-20-18-24(32-2)25(33-3)19-22(20)27-12-6-7-13-27/h4-9,12-13,18-19H,10-11,14-17H2,1-3H3