N-[4-fluoranyl-3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-fluoranyl-3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-fluoro-3-[3-(3-pyridyl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-fluoro-3-[[1-oxo-3-(3-pyridinyl)propyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-fluoro-3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-fluoro-3-[3-(3-pyridyl)propanoylamino]phenyl]-piperonylamide Formula: C22H18FN3O4 MolecularWeight: 407.394423

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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=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C22H18FN3O4/c23-17-6-5-16(25-22(28)15-4-7-19-20(10-15)30-13-29-19)11-18(17)26-21(27)8-3-14-2-1-9-24-12-14/h1-2,4-7,9-12H,3,8,13H2,(H,25,28)(H,26,27)