[(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4/c1-12(17(24)21-19(26)20-14-9-5-6-10-14)27-18(25)16-11-15(22-23-16)13-7-3-2-4-8-13/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3,(H,22,23)(H2,20,21,24,26)/t12-/m0/s1