N4-(3-chloranyl-4-fluoranyl-phenyl)-N7-(3-dimethylphosphorylpropyl)-3-isocyano-6-methoxy-quinoline-4,7-diamine

Systemtic Name: N4-(3-chloranyl-4-fluoranyl-phenyl)-N7-(3-dimethylphosphorylpropyl)-3-isocyano-6-methoxy-quinoline-4,7-diamine Openeye Name: N4-(3-chloro-4-fluoro-phenyl)-N7-(3-dimethylphosphorylpropyl)-3-isocyano-6-methoxy-quinoline-4,7-diamine CAS Name: N4-(3-chloro-4-fluorophenyl)-N7-(3-dimethylphosphorylpropyl)-3-isocyano-6-methoxyquinoline-4,7-diamine IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-7-N-(3-dimethylphosphorylpropyl)-3-isocyano-6-methoxyquinoline-4,7-diamine Traditional Name: [4-(3-chloro-4-fluoro-anilino)-3-isocyano-6-methoxy-7-quinolyl]-(3-dimethylphosphorylpropyl)amine Formula: C22H23ClFN4O2P MolecularWeight: 460.868784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)[N+]#[C-])NC3=CC(=C(C=C3)F)Cl)NCCCP(=O)(C)C

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)[N+]#[C-])NC3=CC(=C(C=C3)F)Cl)NCCCP(=O)(C)C

InChI

InChI=1S/C22H23ClFN4O2P/c1-25-20-13-27-18-12-19(26-8-5-9-31(3,4)29)21(30-2)11-15(18)22(20)28-14-6-7-17(24)16(23)10-14/h6-7,10-13,26H,5,8-9H2,2-4H3,(H,27,28)