2-[(E)-4-[4-(4-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione

Systemtic Name: 2-[(E)-4-[4-(4-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-[4-(4-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-[4-(4-methoxyphenyl)-1-piperazinyl]but-2-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-[4-(4-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-[4-(4-methoxyphenyl)piperazino]but-2-enyl]isoindoline-1,3-quinone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC=CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C/C=C/CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c1-29-19-10-8-18(9-11-19)25-16-14-24(15-17-25)12-4-5-13-26-22(27)20-6-2-3-7-21(20)23(26)28/h2-11H,12-17H2,1H3/b5-4+