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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC#C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC#C)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H21N3O5/c1-4-12-24-21(27)15-31-23(28)18-14-26(17-8-6-5-7-9-17)25-22(18)16-10-11-19(29-2)20(13-16)30-3/h1,5-11,13-14H,12,15H2,2-3H3,(H,24,27)