[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-benzyl-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-2-13-23-20(26)16-28-22(27)19-15-25(14-17-9-5-3-6-10-17)24-21(19)18-11-7-4-8-12-18/h1,3-12,15H,13-14,16H2,(H,23,26)