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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(4-fluorophenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(4-fluoroanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(4-fluoroanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(4-fluoroanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(4-fluoroanilino)pyridazin-3-one Formula: C20H21ClFN3O MolecularWeight: 373.851643

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C20H21ClFN3O/c21-18-17(24-16-3-1-15(22)2-4-16)11-23-25(19(18)26)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14,24H,5-10H2