4-[(E)-2-(3-piperazin-1-ylcarbonylphenyl)ethenyl]isoindole-1,3-dione

Systemtic Name: 4-[(E)-2-(3-piperazin-1-ylcarbonylphenyl)ethenyl]isoindole-1,3-dione Openeye Name: 4-[(E)-2-[3-(piperazine-1-carbonyl)phenyl]vinyl]isoindoline-1,3-dione CAS Name: 4-[(E)-2-[3-[oxo(1-piperazinyl)methyl]phenyl]ethenyl]isoindole-1,3-dione IUPAC Name: 4-[(E)-2-[3-(piperazine-1-carbonyl)phenyl]ethenyl]isoindole-1,3-dione Traditional Name: 4-[(E)-2-[3-(piperazine-1-carbonyl)phenyl]vinyl]isoindoline-1,3-quinone Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=CC(=C2)C=CC3=CC=CC4=C3C(=O)NC4=O

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=CC(=C2)/C=C/C3=CC=CC4=C3C(=O)NC4=O

InChI

InChI=1S/C21H19N3O3/c25-19-17-6-2-4-15(18(17)20(26)23-19)8-7-14-3-1-5-16(13-14)21(27)24-11-9-22-10-12-24/h1-8,13,22H,9-12H2,(H,23,25,26)/b8-7+