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

Systemtic Name: 1-[4-[3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-[4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[4-(3-chloro-4-methyl-phenyl)piperazino]-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)C)Cl)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC(=C(C=C3)C)Cl)O

InChI

InChI=1S/C23H29ClN2O3/c1-3-23(28)18-5-8-21(9-6-18)29-16-20(27)15-25-10-12-26(13-11-25)19-7-4-17(2)22(24)14-19/h4-9,14,20,27H,3,10-13,15-16H2,1-2H3