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

Systemtic Name: 5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-2-methyl-isoindole-1,3-dione Openeye Name: 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-isoindoline-1,3-dione CAS Name: 5-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-methylisoindole-1,3-dione IUPAC Name: 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methylisoindole-1,3-dione Traditional Name: 5-[4-(4-chlorobenzyl)piperazine-1-carbonyl]-2-methyl-isoindoline-1,3-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

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