[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

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