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

Systemtic Name: 8-[(4-fluorophenyl)methyl-methyl-carbamoyl]-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-[(4-fluorophenyl)methyl-methyl-carbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[[(4-fluorophenyl)methyl-methylamino]-oxomethyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-[(4-fluorophenyl)methyl-methylcarbamoyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-[(4-fluorobenzyl)-methyl-carbamoyl]-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=C(C=C1)F)C(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2=CN=C3C(=C2)C=CC4=C3N=CC(C4=O)C(=O)O

InChI

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