[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3/c1-14(19(24)21-13-15-8-4-2-5-9-15)26-20(25)18-12-17(22-23-18)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1