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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[[3-(trifluoromethyl)phenyl]amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[3-(trifluoromethyl)anilino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[3-(trifluoromethyl)anilino]pyridazin-3-one Formula: C21H21ClF3N3O MolecularWeight: 423.85915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClF3N3O/c22-18-17(27-16-3-1-2-15(7-16)21(23,24)25)11-26-28(19(18)29)20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14,27H,4-6,8-10H2