[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3/c1-4-17-9-8-10-18(13-17)23-20(26)14-28-22(27)21-15(2)24-25(16(21)3)19-11-6-5-7-12-19/h5-13H,4,14H2,1-3H3,(H,23,26)