ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-butanoyl-3,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-2-butanoyl-3,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl 5-(2-amino-5-chloro-benzoyl)-2-butanoyl-3,4-dihydropyrazole-3-carboxylate CAS Name: 5-[(2-amino-5-chlorophenyl)-oxomethyl]-2-(1-oxobutyl)-3,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-5-chlorobenzoyl)-2-butanoyl-3,4-dihydropyrazole-3-carboxylate Traditional Name: 5-(2-amino-5-chloro-benzoyl)-2-butyryl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)OCC

Isomeric SMILES

CCCC(=O)N1C(CC(=N1)C(=O)C2=C(C=CC(=C2)Cl)N)C(=O)OCC

InChI

InChI=1S/C17H20ClN3O4/c1-3-5-15(22)21-14(17(24)25-4-2)9-13(20-21)16(23)11-8-10(18)6-7-12(11)19/h6-8,14H,3-5,9,19H2,1-2H3