[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-phenyl-3-pyrazolecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carboxylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-14(21(27)24-17-11-12-17)29-22(28)20-13-19(15-7-9-16(23)10-8-15)25-26(20)18-5-3-2-4-6-18/h2-10,13-14,17H,11-12H2,1H3,(H,24,27)/t14-/m1/s1