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

Systemtic Name: 2-[(E)-4-(4-methoxyphenyl)-4-piperazin-1-yl-but-2-enyl]isoindole-1,3-dione Openeye Name: 2-[(E)-4-(4-methoxyphenyl)-4-piperazin-1-yl-but-2-enyl]isoindoline-1,3-dione CAS Name: 2-[(E)-4-(4-methoxyphenyl)-4-(1-piperazinyl)but-2-enyl]isoindole-1,3-dione IUPAC Name: 2-[(E)-4-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-enyl]isoindole-1,3-dione Traditional Name: 2-[(E)-4-(4-methoxyphenyl)-4-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)C(C=CCN2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(/C=C/CN2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4

InChI

InChI=1S/C23H25N3O3/c1-29-18-10-8-17(9-11-18)21(25-15-12-24-13-16-25)7-4-14-26-22(27)19-5-2-3-6-20(19)23(26)28/h2-11,21,24H,12-16H2,1H3/b7-4+