[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C23H22N4O4/c1-16-7-9-18(10-8-16)27-14-20(23(29)31-15-21(28)25-12-4-11-24)22(26-27)17-5-3-6-19(13-17)30-2/h3,5-10,13-14H,4,12,15H2,1-2H3,(H,25,28)