2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylmethylamino)-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylmethylamino)-4-chloro-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylmethylamino)-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(piperonylamino)pyridazin-3-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C22H24ClN3O3/c23-20-17(24-10-13-1-2-18-19(6-13)29-12-28-18)11-25-26(21(20)27)22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11,14-16,24H,3-5,7-10,12H2