1-[5-fluoranyl-2-methyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]butan-1-one

Systemtic Name: 1-[5-fluoranyl-2-methyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]butan-1-one Openeye Name: 1-[4-(4-benzoylpiperazin-1-yl)-5-fluoro-2-methyl-phenyl]butan-1-one CAS Name: 1-[4-(4-benzoyl-1-piperazinyl)-5-fluoro-2-methylphenyl]-1-butanone IUPAC Name: 1-[4-(4-benzoylpiperazin-1-yl)-5-fluoro-2-methylphenyl]butan-1-one Traditional Name: 1-[4-(4-benzoylpiperazino)-5-fluoro-2-methyl-phenyl]butan-1-one Formula: C22H25FN2O2 MolecularWeight: 368.444503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)C(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C22H25FN2O2/c1-3-7-21(26)18-15-19(23)20(14-16(18)2)24-10-12-25(13-11-24)22(27)17-8-5-4-6-9-17/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3