[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[[[(1S,2R)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4/c1-13-7-5-6-10-15(13)21-20(27)22-18(25)12-28-19(26)17-11-16(23-24-17)14-8-3-2-4-9-14/h2-4,8-9,11,13,15H,5-7,10,12H2,1H3,(H,23,24)(H2,21,22,25,27)/t13-,15+/m1/s1