(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C(=CC2=CC=CC=C2)NC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H20N4O3/c1-16-20(14-24)22(27(26-16)19-11-7-4-8-12-19)15-30-23(29)21(25-17(2)28)13-18-9-5-3-6-10-18/h3-13H,15H2,1-2H3,(H,25,28)/b21-13+