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

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H23N3O4/c1-17-10-12-20(13-11-17)28-16-22(23(27-28)19-7-4-3-5-8-19)25(30)32-18(2)24(29)26-15-21-9-6-14-31-21/h3-14,16,18H,15H2,1-2H3,(H,26,29)