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

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-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-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-4-19(5-2,6-3)21-17(24)12-26-18(25)16-11-15(22-23-16)13-7-9-14(20)10-8-13/h1,7-11H,5-6,12H2,2-3H3,(H,21,24)(H,22,23)