2-(1-adamantyl)-4-chloranyl-5-phenylazanyl-pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-phenylazanyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-anilino-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-5-anilino-4-chloro-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-anilino-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-anilino-4-chloro-pyridazin-3-one Formula: C20H22ClN3O MolecularWeight: 355.86118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O/c21-18-17(23-16-4-2-1-3-5-16)12-22-24(19(18)25)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,12-15,23H,6-11H2