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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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