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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(2,5-dimethylphenyl)amino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(2,5-dimethylanilino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(2,5-dimethylanilino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(2,5-dimethylanilino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(2,5-dimethylanilino)pyridazin-3-one Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O/c1-13-3-4-14(2)18(5-13)25-19-12-24-26(21(27)20(19)23)22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,12,15-17,25H,6-11H2,1-2H3