[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl] ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C(=CC3=CC=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)/C(=C\C3=CC=CC=C3)/NC(=O)C)C

InChI

InChI=1S/C25H26N4O4/c1-16-10-12-21(13-11-16)29-18(3)24(17(2)28-29)27-23(31)15-33-25(32)22(26-19(4)30)14-20-8-6-5-7-9-20/h5-14H,15H2,1-4H3,(H,26,30)(H,27,31)/b22-14+