(4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylic acid (4-cyanobenzyl) ester Formula: C24H17N5O2 MolecularWeight: 407.42408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC3=CC=C(C=C3)C#N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)OCC3=CC=C(C=C3)C#N)CCC#N

InChI

InChI=1S/C24H17N5O2/c25-11-4-12-29-16-22(23(28-29)20-5-2-1-3-6-20)13-21(15-27)24(30)31-17-19-9-7-18(14-26)8-10-19/h1-3,5-10,13,16H,4,12,17H2/b21-13+