2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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