5-(5-chloranyl-2-methyl-phenyl)-4-ethyl-6-piperazin-1-yl-isoindole-1,3-dione

Systemtic Name: 5-(5-chloranyl-2-methyl-phenyl)-4-ethyl-6-piperazin-1-yl-isoindole-1,3-dione Openeye Name: 5-(5-chloro-2-methyl-phenyl)-4-ethyl-6-piperazin-1-yl-isoindoline-1,3-dione CAS Name: 5-(5-chloro-2-methylphenyl)-4-ethyl-6-(1-piperazinyl)isoindole-1,3-dione IUPAC Name: 5-(5-chloro-2-methylphenyl)-4-ethyl-6-piperazin-1-ylisoindole-1,3-dione Traditional Name: 5-(5-chloro-2-methyl-phenyl)-4-ethyl-6-piperazino-isoindoline-1,3-quinone Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1C3=C(C=CC(=C3)Cl)C)N4CCNCC4)C(=O)NC2=O

Isomeric SMILES

CCC1=C2C(=CC(=C1C3=C(C=CC(=C3)Cl)C)N4CCNCC4)C(=O)NC2=O

InChI

InChI=1S/C21H22ClN3O2/c1-3-14-18(15-10-13(22)5-4-12(15)2)17(25-8-6-23-7-9-25)11-16-19(14)21(27)24-20(16)26/h4-5,10-11,23H,3,6-9H2,1-2H3,(H,24,26,27)