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

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

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