6-[4-[4-(2-chloranyl-3-methyl-phenyl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 6-[4-[4-(2-chloranyl-3-methyl-phenyl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one Openeye Name: 6-[4-[4-(2-chloro-3-methyl-phenyl)piperazin-1-yl]butyl]isoindolin-1-one CAS Name: 6-[4-[4-(2-chloro-3-methylphenyl)-1-piperazinyl]butyl]-2,3-dihydroisoindol-1-one IUPAC Name: 6-[4-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one Traditional Name: 6-[4-[4-(2-chloro-3-methyl-phenyl)piperazino]butyl]isoindolin-1-one Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCC3=CC4=C(CNC4=O)C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCC3=CC4=C(CNC4=O)C=C3)Cl

InChI

InChI=1S/C23H28ClN3O/c1-17-5-4-7-21(22(17)24)27-13-11-26(12-14-27)10-3-2-6-18-8-9-19-16-25-23(28)20(19)15-18/h4-5,7-9,15H,2-3,6,10-14,16H2,1H3,(H,25,28)