N-[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-fluoranyl-phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-fluoranyl-phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide Openeye Name: N-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluoro-phenyl]-5-cyclopropyl-isoxazole-3-carboxamide CAS Name: N-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-fluorophenyl]-5-cyclopropyl-3-isoxazolecarboxamide IUPAC Name: N-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluorophenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-[2-fluoro-5-(piperonyloylamino)phenyl]isoxazole-3-carboxamide Formula: C21H16FN3O5 MolecularWeight: 409.367243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)F

Isomeric SMILES

C1CC1C2=CC(=NO2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)F

InChI

InChI=1S/C21H16FN3O5/c22-14-5-4-13(23-20(26)12-3-6-17-19(7-12)29-10-28-17)8-15(14)24-21(27)16-9-18(30-25-16)11-1-2-11/h3-9,11H,1-2,10H2,(H,23,26)(H,24,27)