[2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[4-(dimethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [2-[4-[dimethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-[4-(dimethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C)Cl

InChI

InChI=1S/C20H25ClN4O4/c1-5-6-11-25-18(21)17(13(2)23-25)20(28)29-12-16(26)22-15-9-7-14(8-10-15)19(27)24(3)4/h7-10H,5-6,11-12H2,1-4H3,(H,22,26)