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

Systemtic Name: [(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-naphthylamino)-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-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-2-ylamino)-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-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC2=CC3=CC=CC=C3C=C2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-4-5-12-26-20(23)19(14(2)25-26)22(28)29-15(3)21(27)24-18-11-10-16-8-6-7-9-17(16)13-18/h6-11,13,15H,4-5,12H2,1-3H3,(H,24,27)/t15-/m1/s1