2-(1-adamantyl)-4-chloranyl-5-[(4-methylphenyl)methylamino]pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(4-methylphenyl)methylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(p-tolylmethylamino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(4-methylphenyl)methylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[(4-methylphenyl)methylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-[(4-methylbenzyl)amino]pyridazin-3-one Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H26ClN3O/c1-14-2-4-15(5-3-14)12-24-19-13-25-26(21(27)20(19)23)22-9-16-6-17(10-22)8-18(7-16)11-22/h2-5,13,16-18,24H,6-12H2,1H3