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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(4-fluorophenyl)methylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[(4-fluorobenzyl)amino]pyridazin-3-one Formula: C21H23ClFN3O MolecularWeight: 387.878223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O/c22-19-18(24-11-13-1-3-17(23)4-2-13)12-25-26(20(19)27)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16,24H,5-11H2