4-chloranyl-5-fluoranyl-N2-methyl-N3-(phenylmethyl)-1,10-phenanthroline-2,3-dicarboxamide

Systemtic Name: 4-chloranyl-5-fluoranyl-N2-methyl-N3-(phenylmethyl)-1,10-phenanthroline-2,3-dicarboxamide Openeye Name: N3-benzyl-4-chloro-5-fluoro-N2-methyl-1,10-phenanthroline-2,3-dicarboxamide CAS Name: 4-chloro-5-fluoro-N2-methyl-N3-(phenylmethyl)-1,10-phenanthroline-2,3-dicarboxamide IUPAC Name: 3-N-benzyl-4-chloro-5-fluoro-2-N-methyl-1,10-phenanthroline-2,3-dicarboxamide Traditional Name: N'-benzyl-4-chloro-5-fluoro-N-methyl-1,10-phenanthroline-2,3-dicarboxamide Formula: C22H16ClFN4O2 MolecularWeight: 422.839443

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC2=C3C(=CC(=C2C(=C1C(=O)NCC4=CC=CC=C4)Cl)F)C=CC=N3

Isomeric SMILES

CNC(=O)C1=NC2=C3C(=CC(=C2C(=C1C(=O)NCC4=CC=CC=C4)Cl)F)C=CC=N3

InChI

InChI=1S/C22H16ClFN4O2/c1-25-22(30)20-16(21(29)27-11-12-6-3-2-4-7-12)17(23)15-14(24)10-13-8-5-9-26-18(13)19(15)28-20/h2-10H,11H2,1H3,(H,25,30)(H,27,29)