N-[4-fluoranyl-3-[3-(furan-2-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-fluoranyl-3-[3-(furan-2-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-fluoro-3-[3-(2-furyl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-fluoro-3-[[3-(2-furanyl)-1-oxopropyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-fluoro-3-[3-(furan-2-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-fluoro-3-[3-(2-furyl)propanoylamino]phenyl]-piperonylamide Formula: C21H17FN2O5 MolecularWeight: 396.368483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CCC4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CCC4=CC=CO4

InChI

InChI=1S/C21H17FN2O5/c22-16-6-4-14(11-17(16)24-20(25)8-5-15-2-1-9-27-15)23-21(26)13-3-7-18-19(10-13)29-12-28-18/h1-4,6-7,9-11H,5,8,12H2,(H,23,26)(H,24,25)