1-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[4-(3-chlorophenyl)piperazino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c1-16(26)17-6-7-21(22(12-17)28-2)29-15-20(27)14-24-8-10-25(11-9-24)19-5-3-4-18(23)13-19/h3-7,12-13,20,27H,8-11,14-15H2,1-2H3