[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N)Cl

InChI

InChI=1S/C19H21ClN4O3/c1-4-5-10-24-17(20)16(12(2)23-24)19(26)27-13(3)18(25)22-15-9-7-6-8-14(15)11-21/h6-9,13H,4-5,10H2,1-3H3,(H,22,25)/t13-/m1/s1