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

Systemtic Name: 5-chloranyl-2-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione Openeye Name: 5-chloro-2-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindoline-1,3-dione CAS Name: 5-chloro-2-[(E)-4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-enyl]isoindole-1,3-dione IUPAC Name: 5-chloro-2-[(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione Traditional Name: 5-chloro-2-[(E)-4-[4-(2-methoxyphenyl)piperazino]but-2-enyl]isoindoline-1,3-quinone Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC=CCN3C(=O)C4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C/C=C/CN3C(=O)C4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-30-21-7-3-2-6-20(21)26-14-12-25(13-15-26)10-4-5-11-27-22(28)18-9-8-17(24)16-19(18)23(27)29/h2-9,16H,10-15H2,1H3/b5-4+