4-chloranyl-7-[(E)-2-[4-(4-methylpiperazin-1-yl)carbonylphenyl]ethenyl]isoindole-1,3-dione

Systemtic Name: 4-chloranyl-7-[(E)-2-[4-(4-methylpiperazin-1-yl)carbonylphenyl]ethenyl]isoindole-1,3-dione Openeye Name: 4-chloro-7-[(E)-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]vinyl]isoindoline-1,3-dione CAS Name: 4-chloro-7-[(E)-2-[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]ethenyl]isoindole-1,3-dione IUPAC Name: 4-chloro-7-[(E)-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethenyl]isoindole-1,3-dione Traditional Name: 4-chloro-7-[(E)-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]vinyl]isoindoline-1,3-quinone Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C=CC3=C4C(=C(C=C3)Cl)C(=O)NC4=O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)/C=C/C3=C4C(=C(C=C3)Cl)C(=O)NC4=O

InChI

InChI=1S/C22H20ClN3O3/c1-25-10-12-26(13-11-25)22(29)16-6-3-14(4-7-16)2-5-15-8-9-17(23)19-18(15)20(27)24-21(19)28/h2-9H,10-13H2,1H3,(H,24,27,28)/b5-2+