[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H22N4O4/c1-31-21-11-8-18(9-12-21)24-19(16-28(27-24)20-6-3-2-4-7-20)10-13-23(30)32-17-22(29)26-15-5-14-25/h2-4,6-13,16H,5,15,17H2,1H3,(H,26,29)/b13-10+