N-[3-(cyclohex-3-en-1-ylcarbonylamino)-4-fluoranyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(cyclohex-3-en-1-ylcarbonylamino)-4-fluoranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(cyclohex-3-ene-1-carbonylamino)-4-fluoro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[1-cyclohex-3-enyl(oxo)methyl]amino]-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(cyclohex-3-ene-1-carbonylamino)-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(cyclohex-3-ene-1-carbonylamino)-4-fluoro-phenyl]-piperonylamide Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

C1CC(CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H19FN2O4/c22-16-8-7-15(11-17(16)24-20(25)13-4-2-1-3-5-13)23-21(26)14-6-9-18-19(10-14)28-12-27-18/h1-2,6-11,13H,3-5,12H2,(H,23,26)(H,24,25)