1-[4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[4-(3-bromo-4-methoxybenzoyl)-2-fluorophenyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazino]butan-1-one Formula: C22H24BrFN2O3 MolecularWeight: 463.339963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)Br)F

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)Br)F

InChI

InChI=1S/C22H24BrFN2O3/c1-3-4-21(27)26-11-9-25(10-12-26)19-7-5-16(14-18(19)24)22(28)15-6-8-20(29-2)17(23)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3