7-[(E)-2-(4-piperazin-1-ylcarbonylphenyl)ethenyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 7-[(E)-2-(4-piperazin-1-ylcarbonylphenyl)ethenyl]-2,3-dihydroisoindol-1-one Openeye Name: 7-[(E)-2-[4-(piperazine-1-carbonyl)phenyl]vinyl]isoindolin-1-one CAS Name: 7-[(E)-2-[4-[oxo(1-piperazinyl)methyl]phenyl]ethenyl]-2,3-dihydroisoindol-1-one IUPAC Name: 7-[(E)-2-[4-(piperazine-1-carbonyl)phenyl]ethenyl]-2,3-dihydroisoindol-1-one Traditional Name: 7-[(E)-2-[4-(piperazine-1-carbonyl)phenyl]vinyl]isoindolin-1-one Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C=CC3=C4C(=CC=C3)CNC4=O

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=C4C(=CC=C3)CNC4=O

InChI

InChI=1S/C21H21N3O2/c25-20-19-16(2-1-3-18(19)14-23-20)7-4-15-5-8-17(9-6-15)21(26)24-12-10-22-11-13-24/h1-9,22H,10-14H2,(H,23,25)/b7-4+