(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide

Systemtic Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide Openeye Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide CAS Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-[(1R)-1-phenylethyl]-2-propenamide IUPAC Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-[(1R)-1-phenylethyl]acrylamide Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H17BrN4O/c1-14(15-5-3-2-4-6-15)25-21(27)17(12-23)11-18-13-24-26-20(18)16-7-9-19(22)10-8-16/h2-11,13-14H,1H3,(H,24,26)(H,25,27)/b17-11+/t14-/m1/s1