2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-oxidanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-oxidanyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 5-hydroxy-2-[3-(4-o-phenetylpiperazino)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCC(CC4C3=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CCC(CC4C3=O)O

InChI

InChI=1S/C23H33N3O4/c1-2-30-21-7-4-3-6-20(21)25-14-12-24(13-15-25)10-5-11-26-22(28)18-9-8-17(27)16-19(18)23(26)29/h3-4,6-7,17-19,27H,2,5,8-16H2,1H3