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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C18H17N3O3/c1-2-10-19-17(22)12-24-18(23)16-11-15(13-8-9-13)20-21(16)14-6-4-3-5-7-14/h1,3-7,11,13H,8-10,12H2,(H,19,22)