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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(4-chloro-2-methoxy-5-methyl-anilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(4-chloro-2-methoxy-5-methylanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(4-chloro-2-methoxy-5-methylanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(4-chloro-2-methoxy-5-methyl-anilino)pyridazin-3-one Formula: C22H25Cl2N3O2 MolecularWeight: 434.3588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H25Cl2N3O2/c1-12-3-17(19(29-2)7-16(12)23)26-18-11-25-27(21(28)20(18)24)22-8-13-4-14(9-22)6-15(5-13)10-22/h3,7,11,13-15,26H,4-6,8-10H2,1-2H3