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

Systemtic Name: N-[4-fluoranyl-3-(hexanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-fluoro-3-(hexanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-fluoro-3-(1-oxohexylamino)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-fluoro-3-(hexanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(caproylamino)-4-fluoro-phenyl]-piperonylamide Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

CCCCCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C20H21FN2O4/c1-2-3-4-5-19(24)23-16-11-14(7-8-15(16)21)22-20(25)13-6-9-17-18(10-13)27-12-26-17/h6-11H,2-5,12H2,1H3,(H,22,25)(H,23,24)