1-tert-butyl-3-(2-chloranyl-5-fluoranyl-phenyl)-N-cyclohexa-1,5-dien-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-tert-butyl-3-(2-chloranyl-5-fluoranyl-phenyl)-N-cyclohexa-1,5-dien-1-yl-pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-3-(2-chloro-5-fluoro-phenyl)-N-cyclohexa-1,5-dien-1-yl-pyrazole-4-carboxamide CAS Name: 1-tert-butyl-3-(2-chloro-5-fluorophenyl)-N-(1-cyclohexa-1,5-dienyl)-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-3-(2-chloro-5-fluorophenyl)-N-cyclohexa-1,5-dien-1-ylpyrazole-4-carboxamide Traditional Name: 1-tert-butyl-3-(2-chloro-5-fluoro-phenyl)-N-cyclohexa-1,5-dien-1-yl-pyrazole-4-carboxamide Formula: C20H21ClFN3O MolecularWeight: 373.851643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=C(C=CC(=C2)F)Cl)C(=O)NC3=CCCC=C3

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=C(C=CC(=C2)F)Cl)C(=O)NC3=CCCC=C3

InChI

InChI=1S/C20H21ClFN3O/c1-20(2,3)25-12-16(19(26)23-14-7-5-4-6-8-14)18(24-25)15-11-13(22)9-10-17(15)21/h5,7-12H,4,6H2,1-3H3,(H,23,26)