2-(1-adamantyl)-4-chloranyl-5-[(3,5-dimethoxyphenyl)amino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3,5-dimethoxyphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3,5-dimethoxyanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3,5-dimethoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3,5-dimethoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(3,5-dimethoxyanilino)pyridazin-3-one Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)OC

InChI

InChI=1S/C22H26ClN3O3/c1-28-17-6-16(7-18(8-17)29-2)25-19-12-24-26(21(27)20(19)23)22-9-13-3-14(10-22)5-15(4-13)11-22/h6-8,12-15,25H,3-5,9-11H2,1-2H3