6-[2-(2-chloranyl-4-fluoranyl-phenyl)-5-isocyanato-benzimidazol-1-yl]-2-(2-methylphenyl)pyridazin-3-one

Systemtic Name: 6-[2-(2-chloranyl-4-fluoranyl-phenyl)-5-isocyanato-benzimidazol-1-yl]-2-(2-methylphenyl)pyridazin-3-one Openeye Name: 6-[2-(2-chloro-4-fluoro-phenyl)-5-isocyanato-benzimidazol-1-yl]-2-(o-tolyl)pyridazin-3-one CAS Name: 6-[2-(2-chloro-4-fluorophenyl)-5-isocyanato-1-benzimidazolyl]-2-(2-methylphenyl)-3-pyridazinone IUPAC Name: 6-[2-(2-chloro-4-fluorophenyl)-5-isocyanatobenzimidazol-1-yl]-2-(2-methylphenyl)pyridazin-3-one Traditional Name: 6-[2-(2-chloro-4-fluoro-phenyl)-5-isocyanato-benzimidazol-1-yl]-2-(o-tolyl)pyridazin-3-one Formula: C25H15ClFN5O2 MolecularWeight: 471.870303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=CC(=N2)N3C4=C(C=C(C=C4)N=C=O)N=C3C5=C(C=C(C=C5)F)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=CC(=N2)N3C4=C(C=C(C=C4)N=C=O)N=C3C5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C25H15ClFN5O2/c1-15-4-2-3-5-21(15)32-24(34)11-10-23(30-32)31-22-9-7-17(28-14-33)13-20(22)29-25(31)18-8-6-16(27)12-19(18)26/h2-13H,1H3