1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-yl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-yl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-methoxyphenyl)-3-(1-pyrrolyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropan-1-one Traditional Name: 3-(4-methoxyphenyl)-1-(4-piperonylpiperazino)-3-pyrrol-1-yl-propan-1-one Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N5C=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)N5C=CC=C5

InChI

InChI=1S/C26H29N3O4/c1-31-22-7-5-21(6-8-22)23(28-10-2-3-11-28)17-26(30)29-14-12-27(13-15-29)18-20-4-9-24-25(16-20)33-19-32-24/h2-11,16,23H,12-15,17-19H2,1H3