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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-28-18-4-3-16(8-19(18)29-2)25-17-12-24-26(21(27)20(17)23)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15,25H,5-7,9-11H2,1-2H3