2-(1-adamantyl)-4-chloranyl-5-(phenethylamino)pyridazin-3-one

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-(phenethylamino)pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-(phenethylamino)pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-(phenethylamino)-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-(phenethylamino)pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(phenethylamino)pyridazin-3-one Formula: C22H26ClN3O MolecularWeight: 383.91434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCCC5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCCC5=CC=CC=C5)Cl

InChI

InChI=1S/C22H26ClN3O/c23-20-19(24-7-6-15-4-2-1-3-5-15)14-25-26(21(20)27)22-11-16-8-17(12-22)10-18(9-16)13-22/h1-5,14,16-18,24H,6-13H2