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

Systemtic Name: (4-methylphenyl)methyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: p-tolylmethyl (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-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)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-methylbenzyl) ester Formula: C24H20N4O2 MolecularWeight: 396.4412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C24H20N4O2/c1-18-8-10-19(11-9-18)17-30-24(29)21(15-26)14-22-16-28(13-5-12-25)27-23(22)20-6-3-2-4-7-20/h2-4,6-11,14,16H,5,13,17H2,1H3/b21-14+