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

Systemtic Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylamino)-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylamino)-4-chloro-pyridazin-3-one CAS Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylamino)-4-chloro-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylamino)-4-chloropyridazin-3-one Traditional Name: 2-(1-adamantyl)-5-(1,3-benzodioxol-5-ylamino)-4-chloro-pyridazin-3-one Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NC5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C21H22ClN3O3/c22-19-16(24-15-1-2-17-18(6-15)28-11-27-17)10-23-25(20(19)26)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,10,12-14,24H,3-5,7-9,11H2