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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2,4-dimethoxy-anilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2,4-dimethoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2,4-dimethoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2,4-dimethoxy-anilino)pyridazin-3-one Formula: C22H25Cl2N3O3 MolecularWeight: 450.3582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)Cl)OC

InChI

InChI=1S/C22H25Cl2N3O3/c1-29-18-7-19(30-2)16(6-15(18)23)26-17-11-25-27(21(28)20(17)24)22-8-12-3-13(9-22)5-14(4-12)10-22/h6-7,11-14,26H,3-5,8-10H2,1-2H3