[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H23N3O3/c1-5-20(6-2,7-3)21-18(24)13-26-19(25)17-12-16(22-23-17)15-10-8-14(4)9-11-15/h1,8-12H,6-7,13H2,2-4H3,(H,21,24)(H,22,23)