ethyl 3-[(2-azanyl-4-fluoranyl-phenyl)amino]-1-hexyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-4-fluoranyl-phenyl)amino]-1-hexyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(2-amino-4-fluoro-anilino)-1-hexyl-pyrazole-4-carboxylate CAS Name: 3-(2-amino-4-fluoroanilino)-1-hexyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-4-fluoroanilino)-1-hexylpyrazole-4-carboxylate Traditional Name: 3-(2-amino-4-fluoro-anilino)-1-hexyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H25FN4O2 MolecularWeight: 348.415103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)N)C(=O)OCC

Isomeric SMILES

CCCCCCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)N)C(=O)OCC

InChI

InChI=1S/C18H25FN4O2/c1-3-5-6-7-10-23-12-14(18(24)25-4-2)17(22-23)21-16-9-8-13(19)11-15(16)20/h8-9,11-12H,3-7,10,20H2,1-2H3,(H,21,22)