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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-methoxyphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(3-methoxyanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(3-methoxyanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(3-methoxyanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(m-anisidino)pyridazin-3-one Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2/c1-27-17-4-2-3-16(8-17)24-18-12-23-25(20(26)19(18)22)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,12-15,24H,5-7,9-11H2,1H3