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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-fluoranyl-4-methyl-phenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoro-4-methyl-anilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoro-4-methylanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoro-4-methylanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(3-fluoro-4-methyl-anilino)pyridazin-3-one Formula: C21H23ClFN3O MolecularWeight: 387.878223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)F

InChI

InChI=1S/C21H23ClFN3O/c1-12-2-3-16(7-17(12)23)25-18-11-24-26(20(27)19(18)22)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15,25H,4-6,8-10H2,1H3