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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-fluorophenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoroanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(3-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(=CC=C5)F)Cl

Isomeric SMILES

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

InChI

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