5-tert-butyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1,2-benzoxazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1,2-benzoxazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1,2-benzoxazole-3-carboxamide CAS Name: 5-tert-butyl-N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-1,2-benzoxazole-3-carboxamide IUPAC Name: 5-tert-butyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1,2-benzoxazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[1-(4-fluorobenzyl)pyrazol-4-yl]indoxazene-3-carboxamide Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)ON=C2C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)ON=C2C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-11,13H,12H2,1-3H3,(H,25,28)