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

Systemtic Name: (E)-3-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C26H20BrN5O2 MolecularWeight: 514.3733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3=CN=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C26H20BrN5O2/c1-34-24-10-9-19(13-23(24)27)25-21(17-32(31-25)22-7-3-2-4-8-22)12-20(14-28)26(33)30-16-18-6-5-11-29-15-18/h2-13,15,17H,16H2,1H3,(H,30,33)/b20-12+