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

Systemtic Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-pyrazol-4-yl]-2-cyano-N-(2-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenyl-4-pyrazolyl]-2-cyano-N-(2-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[1-[(4-bromophenyl)methyl]-3-phenylpyrazol-4-yl]-2-cyano-N-(pyridin-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[1-(4-bromobenzyl)-3-phenyl-pyrazol-4-yl]-2-cyano-N-(2-pyridylmethyl)acrylamide Formula: C26H20BrN5O MolecularWeight: 498.3739

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=N3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CC=CC=N3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H20BrN5O/c27-23-11-9-19(10-12-23)17-32-18-22(25(31-32)20-6-2-1-3-7-20)14-21(15-28)26(33)30-16-24-8-4-5-13-29-24/h1-14,18H,16-17H2,(H,30,33)/b21-14+