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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-17(2)14-25-23(28)18(3)30-24(29)21-16-27(15-19-10-6-4-7-11-19)26-22(21)20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,25,28)/t18-/m1/s1