ethyl 5-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-3-cyclobutyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(3-chloranyl-4-fluoranyl-phenyl)-3-cyclobutyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(3-chloro-4-fluoro-phenyl)-3-cyclobutyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(3-chloro-4-fluorophenyl)-3-cyclobutyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(3-chloro-4-fluorophenyl)-3-cyclobutylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(3-chloro-4-fluoro-phenyl)-3-cyclobutyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H17ClFN3O2 MolecularWeight: 337.776483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2CCC2)C3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2CCC2)C3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C16H17ClFN3O2/c1-2-23-16(22)13-14(9-4-3-5-9)20-21(15(13)19)10-6-7-12(18)11(17)8-10/h6-9H,2-5,19H2,1H3