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

Systemtic Name: 1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-3-methoxy-phenyl]propan-1-one Openeye Name: 1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxy-propoxy]-3-methoxy-phenyl]propan-1-one CAS Name: 1-[4-[3-[4-(2-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]-3-methoxyphenyl]-1-propanone IUPAC Name: 1-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]propan-1-one Traditional Name: 1-[4-[3-[4-(2-fluorophenyl)piperazino]-2-hydroxy-propoxy]-3-methoxy-phenyl]propan-1-one Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3F)O)OC

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3F)O)OC

InChI

InChI=1S/C23H29FN2O4/c1-3-21(28)17-8-9-22(23(14-17)29-2)30-16-18(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)24/h4-9,14,18,27H,3,10-13,15-16H2,1-2H3