(E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-4-fluoranyl-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(3-bromo-4-fluorophenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-fluorophenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-fluoro-phenyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]acrylamide Formula: C17H18BrFN2O MolecularWeight: 365.240023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=C(C=C2)F)Br)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=C(C=C2)F)Br)/C#N

InChI

InChI=1S/C17H18BrFN2O/c1-11-4-2-3-5-16(11)21-17(22)13(10-20)8-12-6-7-15(19)14(18)9-12/h6-9,11,16H,2-5H2,1H3,(H,21,22)/b13-8+/t11-,16-/m0/s1