[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C21H26N4O4/c1-14(2)10-11-22-21(28)23-19(26)13-29-20(27)18-12-17(15-8-9-15)24-25(18)16-6-4-3-5-7-16/h3-7,12,14-15H,8-11,13H2,1-2H3,(H2,22,23,26,28)