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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C23H21N3O4/c1-4-12-24-21(27)15-30-23(28)20-14-26(18-10-8-16(2)9-11-18)25-22(20)17-6-5-7-19(13-17)29-3/h1,5-11,13-14H,12,15H2,2-3H3,(H,24,27)