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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(5-methylfuran-2-yl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(isobutylamino)-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-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-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-(isobutylamino)-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)OCC(=O)NCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-14(2)11-22-19(25)13-27-21(26)17-12-24(16-7-5-4-6-8-16)23-20(17)18-10-9-15(3)28-18/h4-10,12,14H,11,13H2,1-3H3,(H,22,25)