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

Systemtic Name: 2-(1-adamantyl)-4-chloranyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one Openeye Name: 2-(1-adamantyl)-4-chloro-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one CAS Name: 2-(1-adamantyl)-4-chloro-5-[(3-methoxyphenyl)methylamino]-3-pyridazinone IUPAC Name: 2-(1-adamantyl)-4-chloro-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one Traditional Name: 2-(1-adamantyl)-4-chloro-5-(m-anisylamino)pyridazin-3-one Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-28-18-4-2-3-14(8-18)12-24-19-13-25-26(21(27)20(19)23)22-9-15-5-16(10-22)7-17(6-15)11-22/h2-4,8,13,15-17,24H,5-7,9-12H2,1H3