4-[(E)-2-[3-(4-methylpiperazin-1-yl)carbonylphenyl]ethenyl]isoindole-1,3-dione

Systemtic Name: 4-[(E)-2-[3-(4-methylpiperazin-1-yl)carbonylphenyl]ethenyl]isoindole-1,3-dione Openeye Name: 4-[(E)-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]vinyl]isoindoline-1,3-dione CAS Name: 4-[(E)-2-[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]ethenyl]isoindole-1,3-dione IUPAC Name: 4-[(E)-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]ethenyl]isoindole-1,3-dione Traditional Name: 4-[(E)-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]vinyl]isoindoline-1,3-quinone Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC(=C2)C=CC3=CC=CC4=C3C(=O)NC4=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC(=C2)/C=C/C3=CC=CC4=C3C(=O)NC4=O

InChI

InChI=1S/C22H21N3O3/c1-24-10-12-25(13-11-24)22(28)17-6-2-4-15(14-17)8-9-16-5-3-7-18-19(16)21(27)23-20(18)26/h2-9,14H,10-13H2,1H3,(H,23,26,27)/b9-8+