5-fluoranyl-8-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 5-fluoranyl-8-[methyl-(phenylmethyl)carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[benzyl(methyl)carbamoyl]-5-fluoro-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 5-fluoro-8-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[benzyl(methyl)carbamoyl]-5-fluoro-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[benzyl(methyl)carbamoyl]-5-fluoro-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C22H16FN3O4 MolecularWeight: 405.378543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=C(C4=C3N=CC(C4=O)C(=O)O)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CN=C3C(=C2)C=C(C4=C3N=CC(C4=O)C(=O)O)F

InChI

InChI=1S/C22H16FN3O4/c1-26(11-12-5-3-2-4-6-12)21(28)14-7-13-8-16(23)17-19(18(13)24-9-14)25-10-15(20(17)27)22(29)30/h2-10,15H,11H2,1H3,(H,29,30)