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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-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=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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