2-[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-chlorobenzyl)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:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22ClN3O3/c1-15(26-21(28)17-7-3-4-8-18(17)22(26)29)20(27)25-12-10-24(11-13-25)14-16-6-2-5-9-19(16)23/h2-9,15H,10-14H2,1H3