3-[5-chloranyl-4-[(4-fluorophenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid

Systemtic Name: 3-[5-chloranyl-4-[(4-fluorophenyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-4-[(4-fluorobenzyl)amino]-6-keto-pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C22H23ClFN3O3 MolecularWeight: 431.887723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCC5=CC=C(C=C5)F)Cl)C(=O)O

InChI

InChI=1S/C22H23ClFN3O3/c23-18-17(25-10-13-1-3-16(24)4-2-13)11-26-27(19(18)28)22-8-14-5-15(9-22)7-21(6-14,12-22)20(29)30/h1-4,11,14-15,25H,5-10,12H2,(H,29,30)