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

Systemtic Name: 1-[4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[4-(3-bromo-4-methoxybenzoyl)-2-fluorophenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazino]propan-1-one Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O3/c1-3-20(26)25-10-8-24(9-11-25)18-6-4-15(13-17(18)23)21(27)14-5-7-19(28-2)16(22)12-14/h4-7,12-13H,3,8-11H2,1-2H3