5-tert-butyl-N-(2-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(2-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-(2-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-(2-chlorophenyl)-2-[(4-fluorophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-(2-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-(2-chlorophenyl)-2-(4-fluorobenzyl)pyrazole-3-carboxamide Formula: C21H21ClFN3O MolecularWeight: 385.862343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC=C2Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC=C2Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFN3O/c1-21(2,3)19-12-18(20(27)24-17-7-5-4-6-16(17)22)26(25-19)13-14-8-10-15(23)11-9-14/h4-12H,13H2,1-3H3,(H,24,27)