[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4/c1-17-9-11-18(12-10-17)23-21(15-27(26-23)19-6-3-2-4-7-19)24(29)31-16-22(28)25-14-20-8-5-13-30-20/h2-13,15H,14,16H2,1H3,(H,25,28)