N-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[[5-(trifluoromethyl)pyridin-2-yl]amino]propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[5-(trifluoromethyl)-2-pyridyl]amino]propyl]-piperonylamide Formula: C17H16F3N3O3 MolecularWeight: 367.32245

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCCCNC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCCCNC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H16F3N3O3/c18-17(19,20)12-3-5-15(23-9-12)21-6-1-7-22-16(24)11-2-4-13-14(8-11)26-10-25-13/h2-5,8-9H,1,6-7,10H2,(H,21,23)(H,22,24)