N2-(3-azanyl-2-fluoranyl-phenyl)-4,7-bis(2-methylpropoxy)-N9-phenyl-1,10-phenanthroline-2,9-dicarboxamide

Systemtic Name: N2-(3-azanyl-2-fluoranyl-phenyl)-4,7-bis(2-methylpropoxy)-N9-phenyl-1,10-phenanthroline-2,9-dicarboxamide Openeye Name: N2-(3-amino-2-fluoro-phenyl)-4,7-diisobutoxy-N9-phenyl-1,10-phenanthroline-2,9-dicarboxamide CAS Name: N2-(3-amino-2-fluorophenyl)-4,7-bis(2-methylpropoxy)-N9-phenyl-1,10-phenanthroline-2,9-dicarboxamide IUPAC Name: 2-N-(3-amino-2-fluorophenyl)-4,7-bis(2-methylpropoxy)-9-N-phenyl-1,10-phenanthroline-2,9-dicarboxamide Traditional Name: N-(3-amino-2-fluoro-phenyl)-4,7-diisobutoxy-N'-phenyl-1,10-phenanthroline-2,9-dicarboxamide Formula: C34H34FN5O4 MolecularWeight: 595.663263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3OCC(C)C)C(=O)NC4=CC=CC(=C4F)N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC(C)COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3OCC(C)C)C(=O)NC4=CC=CC(=C4F)N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C34H34FN5O4/c1-19(2)17-43-28-15-26(33(41)37-21-9-6-5-7-10-21)38-31-22(28)13-14-23-29(44-18-20(3)4)16-27(39-32(23)31)34(42)40-25-12-8-11-24(36)30(25)35/h5-16,19-20H,17-18,36H2,1-4H3,(H,37,41)(H,40,42)