2-[(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)[C@H](C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22ClN3O3/c1-14-7-8-16(23)13-19(14)24-9-11-25(12-10-24)20(27)15(2)26-21(28)17-5-3-4-6-18(17)22(26)29/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1