2-(1-adamantyl)-4-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-one Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=O)N(N=C3)C45CC6CC(C4)CC(C6)C5)Cl

InChI

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