[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-2-12-23-20(26)14-28-21(27)19-13-18(15-8-10-16(22)11-9-15)24-25(19)17-6-4-3-5-7-17/h1,3-11,13H,12,14H2,(H,23,26)