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

Systemtic Name: (E)-3-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C23H19BrN4O2 MolecularWeight: 463.32656

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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)NCC=C)C3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN4O2/c1-3-11-26-23(29)17(14-25)12-18-15-28(19-7-5-4-6-8-19)27-22(18)16-9-10-21(30-2)20(24)13-16/h3-10,12-13,15H,1,11H2,2H3,(H,26,29)/b17-12+