[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 1-benzyl-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-17(22(28)25-24(2,3)4)30-23(29)20-16-27(15-18-11-7-5-8-12-18)26-21(20)19-13-9-6-10-14-19/h5-14,16-17H,15H2,1-4H3,(H,25,28)/t17-/m1/s1