[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C18H26ClN5O3 MolecularWeight: 395.88374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN5O3/c1-7-8-9-24-16(19)14(10(2)22-24)18(26)27-13(5)17(25)20-15-11(3)21-23(6)12(15)4/h13H,7-9H2,1-6H3,(H,20,25)/t13-/m0/s1