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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)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:

COC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)NCCC#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)NCCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O4/c1-30-20-11-6-5-10-18(20)22-19(23(29)31-16-21(28)25-13-7-12-24)15-27(26-22)14-17-8-3-2-4-9-17/h2-6,8-11,15H,7,13-14,16H2,1H3,(H,25,28)