4-[4-(2-butoxy-2-phenyl-ethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride

Systemtic Name: 4-[4-(2-butoxy-2-phenyl-ethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride Openeye Name: 4-[4-(2-butoxy-2-phenyl-ethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride CAS Name: 4-[4-(2-butoxy-2-phenylethyl)-1-piperazinyl]-1-(4-fluorophenyl)-1-butanone dihydrochloride IUPAC Name: 4-[4-(2-butoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one dihydrochloride Traditional Name: 4-[4-(2-butoxy-2-phenyl-ethyl)piperazino]-1-(4-fluorophenyl)butan-1-one dihydrochloride Formula: C26H37Cl2FN2O2 MolecularWeight: 499.488583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCCCOC(CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C26H35FN2O2.2ClH/c1-2-3-20-31-26(23-8-5-4-6-9-23)21-29-18-16-28(17-19-29)15-7-10-25(30)22-11-13-24(27)14-12-22;;/h4-6,8-9,11-14,26H,2-3,7,10,15-21H2,1H3;2*1H