[(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C2=CC=CC=C2)C(=O)N(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3/c1-14-17(19(22)25(23-14)16-12-8-5-9-13-16)21(27)28-18(20(26)24(2)3)15-10-6-4-7-11-15/h4-13,18H,1-3H3/t18-/m1/s1