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

Systemtic Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(4-o-phenetylpiperazino)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H31N3O3 MolecularWeight: 397.51054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C23H31N3O3/c1-2-29-21-11-6-5-10-20(21)25-16-14-24(15-17-25)12-7-13-26-22(27)18-8-3-4-9-19(18)23(26)28/h3-6,10-11,18-19H,2,7-9,12-17H2,1H3