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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-15-8-10-17(11-9-15)21-20(14-26(25-21)19-6-4-3-5-7-19)23(28)29-16(2)22(27)24-18-12-13-18/h3-11,14,16,18H,12-13H2,1-2H3,(H,24,27)/t16-/m1/s1