[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC4CC4

InChI

InChI=1S/C22H21N3O3/c1-15-7-11-18(12-8-15)25-13-19(21(24-25)16-5-3-2-4-6-16)22(27)28-14-20(26)23-17-9-10-17/h2-8,11-13,17H,9-10,14H2,1H3,(H,23,26)