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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3,4,5-trimethoxyphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3,4,5-trimethoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3-one Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C23H28ClN3O4/c1-29-18-7-16(8-19(30-2)21(18)31-3)26-17-12-25-27(22(28)20(17)24)23-9-13-4-14(10-23)6-15(5-13)11-23/h7-8,12-15,26H,4-6,9-11H2,1-3H3