[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O4/c1-12(18(26)23-20(28)22-15-5-3-2-4-6-15)29-19(27)17-11-16(24-25-17)13-7-9-14(21)10-8-13/h7-12,15H,2-6H2,1H3,(H,24,25)(H2,22,23,26,28)