(E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide

Systemtic Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide Openeye Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-ethyl-2-propenamide IUPAC Name: (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-ethylprop-2-enamide Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-acrylamide Formula: C21H17BrN4O MolecularWeight: 421.28988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCNC(=O)/C(=C/C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H17BrN4O/c1-2-24-21(27)16(13-23)12-17-14-26(19-6-4-3-5-7-19)25-20(17)15-8-10-18(22)11-9-15/h3-12,14H,2H2,1H3,(H,24,27)/b16-12+