1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-fluoranylphenoxy)butan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(4-fluoranylphenoxy)butan-1-one Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-(4-fluorophenoxy)butan-1-one CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-(4-fluorophenoxy)-1-butanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-fluorophenoxy)butan-1-one Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-(4-fluorophenoxy)butan-1-one Formula: C21H24ClFN2O2 MolecularWeight: 390.878863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C)OC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)Cl)C)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24ClFN2O2/c1-3-20(27-18-8-6-17(23)7-9-18)21(26)25-12-10-24(11-13-25)19-14-16(22)5-4-15(19)2/h4-9,14,20H,3,10-13H2,1-2H3