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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(5-chloranyl-2-methoxy-phenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2-methoxy-anilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2-methoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2-methoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(5-chloro-2-methoxy-anilino)pyridazin-3-one Formula: C21H23Cl2N3O2 MolecularWeight: 420.33222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3O2/c1-28-18-3-2-15(22)7-16(18)25-17-11-24-26(20(27)19(17)23)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,11-14,25H,4-6,8-10H2,1H3