[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-24-14-18(13-22-24)21(26)27-15-20(25)23-19(17-10-6-3-7-11-17)12-16-8-4-2-5-9-16/h2-11,13-14,19H,12,15H2,1H3,(H,23,25)