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

Systemtic Name: (4-chlorophenyl)methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-chlorophenyl)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-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)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-chlorobenzyl) ester Formula: C23H17ClN4O2 MolecularWeight: 416.85968

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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)Cl)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O2/c24-21-9-7-17(8-10-21)16-30-23(29)19(14-26)13-20-15-28(12-4-11-25)27-22(20)18-5-2-1-3-6-18/h1-3,5-10,13,15H,4,12,16H2/b19-13+