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

Systemtic Name: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-[(2-chlorophenyl)methylamino]-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-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chlorophenyl)methylamino]-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-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H23Cl2N3O3 MolecularWeight: 412.31022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NCC2=CC=CC=C2Cl)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NCC2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C19H23Cl2N3O3/c1-4-5-10-24-17(21)16(12(2)23-24)19(26)27-13(3)18(25)22-11-14-8-6-7-9-15(14)20/h6-9,13H,4-5,10-11H2,1-3H3,(H,22,25)/t13-/m1/s1