(E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-N-(3-chloro-2-methyl-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-N-(3-chloro-2-methylphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-N-(3-chloro-2-methyl-phenyl)-2-cyano-acrylamide Formula: C20H14BrClN4O MolecularWeight: 441.70836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=C(NN=C2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C20H14BrClN4O/c1-12-17(22)3-2-4-18(12)25-20(27)14(10-23)9-15-11-24-26-19(15)13-5-7-16(21)8-6-13/h2-9,11H,1H3,(H,24,26)(H,25,27)/b14-9+