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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC(=O)NCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H22N4O3/c1-18-8-10-19(11-9-18)24-20(16-28(27-24)21-6-3-2-4-7-21)12-13-23(30)31-17-22(29)26-15-5-14-25/h2-4,6-13,16H,5,15,17H2,1H3,(H,26,29)/b13-12+