[2-(butylamino)-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(5-methyl-2-furyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=C(O2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CN(N=C1C2=CC=C(O2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-3-4-12-22-19(25)14-27-21(26)17-13-24(16-8-6-5-7-9-16)23-20(17)18-11-10-15(2)28-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,25)