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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(2-chloranyl-4-methyl-phenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2-chloro-4-methyl-anilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(2-chloro-4-methylanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2-chloro-4-methylanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2-chloro-4-methyl-anilino)pyridazin-3-one Formula: C21H23Cl2N3O MolecularWeight: 404.33282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O/c1-12-2-3-17(16(22)4-12)25-18-11-24-26(20(27)19(18)23)21-8-13-5-14(9-21)7-15(6-13)10-21/h2-4,11,13-15,25H,5-10H2,1H3