3a,7a-dimethyl-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-dione

Systemtic Name: 3a,7a-dimethyl-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(2-isopropoxyphenyl)piperazin-1-yl]propyl]-3a,7a-dimethyl-4,7-dihydroisoindole-1,3-dione CAS Name: 3a,7a-dimethyl-2-[3-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-4,7-dihydroisoindole-1,3-dione IUPAC Name: 3a,7a-dimethyl-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-dione Traditional Name: 2-[3-[4-(2-isopropoxyphenyl)piperazino]propyl]-3a,7a-dimethyl-4,7-dihydroisoindole-1,3-quinone Formula: C26H37N3O3 MolecularWeight: 439.59028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4(CC=CCC4(C3=O)C)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4(CC=CCC4(C3=O)C)C

InChI

InChI=1S/C26H37N3O3/c1-20(2)32-22-11-6-5-10-21(22)28-18-16-27(17-19-28)14-9-15-29-23(30)25(3)12-7-8-13-26(25,4)24(29)31/h5-8,10-11,20H,9,12-19H2,1-4H3