(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(phenylcarbonyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(phenylcarbonyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzoyl-1-piperidyl)-3-(5-bromo-2-fluoro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-benzoyl-1-piperidinyl)-3-(5-bromo-2-fluorophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzoylpiperidin-1-yl)-3-(5-bromo-2-fluorophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzoylpiperidino)-3-(5-bromo-2-fluoro-phenyl)prop-2-en-1-one Formula: C21H19BrFNO2 MolecularWeight: 416.283463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H19BrFNO2/c22-18-7-8-19(23)17(14-18)6-9-20(25)24-12-10-16(11-13-24)21(26)15-4-2-1-3-5-15/h1-9,14,16H,10-13H2/b9-6+