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

Systemtic Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C20H15BrN4O MolecularWeight: 407.2633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H15BrN4O/c21-18-8-6-14(7-9-18)12-25-13-17(10-16(11-22)20(23)26)19(24-25)15-4-2-1-3-5-15/h1-10,13H,12H2,(H2,23,26)/b16-10+