5-tert-butyl-N-[1-[(3-iodanylphenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[1-[(3-iodanylphenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[1-[(3-iodophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide CAS Name: 5-tert-butyl-N-[1-[(3-iodophenyl)methyl]-4-pyrazolyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide IUPAC Name: 5-tert-butyl-N-[1-[(3-iodophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[1-(3-iodobenzyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide Formula: C22H25IN4O2 MolecularWeight: 504.36397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)NC3=CN(N=C3)CC4=CC(=CC=C4)I

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)NC3=CN(N=C3)CC4=CC(=CC=C4)I

InChI

InChI=1S/C22H25IN4O2/c1-22(2,3)15-7-8-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-5-4-6-16(23)9-14/h4-6,9,11,13,15H,7-8,10,12H2,1-3H3,(H,25,28)