[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(p-tolyl)-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-methylbenzyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C24H23N3O3/c1-4-13-25-22(28)16-30-24(29)21-15-27(14-19-9-5-17(2)6-10-19)26-23(21)20-11-7-18(3)8-12-20/h1,5-12,15H,13-14,16H2,2-3H3,(H,25,28)