2-[2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(3-chloro-4-methyl-phenyl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-14-6-7-15(12-18(14)22)23-8-10-24(11-9-23)19(26)13-25-20(27)16-4-2-3-5-17(16)21(25)28/h2-7,12H,8-11,13H2,1H3