1-[4-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]ethanone IUPAC Name: 1-[4-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[4-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-hydroxy-propoxy]phenyl]ethanone Formula: C22H27ClN2O3 MolecularWeight: 402.91438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=C(C=C3)C(=O)C)O

InChI

InChI=1S/C22H27ClN2O3/c1-16-3-6-19(23)13-22(16)25-11-9-24(10-12-25)14-20(27)15-28-21-7-4-18(5-8-21)17(2)26/h3-8,13,20,27H,9-12,14-15H2,1-2H3