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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC(=CC=C2)Cl)N3C(=O)C4=CC=CC=C4C3=O

InChI

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