N-[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-fluoranyl-phenyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylcarbonylamino)-2-fluoranyl-phenyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluoro-phenyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-fluorophenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxole-5-carbonylamino)-2-fluorophenyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-fluoro-5-(piperonyloylamino)phenyl]-6-methyl-nicotinamide Formula: C21H16FN3O4 MolecularWeight: 393.367843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H16FN3O4/c1-12-2-3-14(10-23-12)21(27)25-17-9-15(5-6-16(17)22)24-20(26)13-4-7-18-19(8-13)29-11-28-18/h2-10H,11H2,1H3,(H,24,26)(H,25,27)