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

Systemtic Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxy-propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(4-o-phenetylpiperazino)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)C4CC=CCC4C3=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)C4CC=CCC4C3=O)O

InChI

InChI=1S/C23H31N3O4/c1-2-30-21-10-6-5-9-20(21)25-13-11-24(12-14-25)15-17(27)16-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-6,9-10,17-19,27H,2,7-8,11-16H2,1H3