(Z)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C\C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H17BrN4O/c22-19-8-6-16(7-9-19)20-18(14-25-26-20)12-17(13-23)21(27)24-11-10-15-4-2-1-3-5-15/h1-9,12,14H,10-11H2,(H,24,27)(H,25,26)/b17-12-