2-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-prop-2-enoxy-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-prop-2-enoxy-propyl]isoindole-1,3-dione Openeye Name: 2-[2-allyloxy-3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2,4-dimethylphenyl)-1-piperazinyl]-2-prop-2-enoxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-prop-2-enoxypropyl]isoindole-1,3-dione Traditional Name: 2-[2-allyloxy-3-[4-(2,4-dimethylphenyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)OCC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)OCC=C)C

InChI

InChI=1S/C26H31N3O3/c1-4-15-32-21(18-29-25(30)22-7-5-6-8-23(22)26(29)31)17-27-11-13-28(14-12-27)24-10-9-19(2)16-20(24)3/h4-10,16,21H,1,11-15,17-18H2,2-3H3