2-(1-adamantyl)-4-chloranyl-5-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(2-chloranyl-4-fluoranyl-phenyl)methylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[(2-chloro-4-fluoro-phenyl)methylamino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(2-chloro-4-fluorophenyl)methylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[(2-chloro-4-fluorophenyl)methylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[(2-chloro-4-fluoro-benzyl)amino]pyridazin-3-one Formula: C21H22Cl2FN3O MolecularWeight: 422.323283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=C(C=C(C=C5)F)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=C(C=C(C=C5)F)Cl)Cl

InChI

InChI=1S/C21H22Cl2FN3O/c22-17-6-16(24)2-1-15(17)10-25-18-11-26-27(20(28)19(18)23)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,11-14,25H,3-5,7-10H2