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

Systemtic Name: 1-[4-[3-[4-(3-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[3-[4-(3-chloro-2-methyl-phenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[3-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[3-[4-(3-chloro-2-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=C(C(=CC=C3)Cl)C)O

Isomeric SMILES

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

InChI

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