(E)-3-(6-bromanylpyridin-2-yl)-2-cyano-N-[(S)-cyclohexyl(phenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(6-bromanylpyridin-2-yl)-2-cyano-N-[(S)-cyclohexyl(phenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(S)-cyclohexyl(phenyl)methyl]prop-2-enamide CAS Name: (E)-3-(6-bromo-2-pyridinyl)-2-cyano-N-[(S)-cyclohexyl(phenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(S)-cyclohexyl(phenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(6-bromo-2-pyridyl)-2-cyano-N-[(S)-cyclohexyl(phenyl)methyl]acrylamide Formula: C22H22BrN3O MolecularWeight: 424.33358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)NC(=O)C(=CC3=NC(=CC=C3)Br)C#N

Isomeric SMILES

C1CCC(CC1)[C@@H](C2=CC=CC=C2)NC(=O)/C(=C/C3=NC(=CC=C3)Br)/C#N

InChI

InChI=1S/C22H22BrN3O/c23-20-13-7-12-19(25-20)14-18(15-24)22(27)26-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1,3-4,7-9,12-14,17,21H,2,5-6,10-11H2,(H,26,27)/b18-14+/t21-/m1/s1