1-[5-chloranyl-4-(3-methoxypropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid

Systemtic Name: 1-[5-chloranyl-4-(3-methoxypropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylic acid Openeye Name: 1-[5-chloro-4-(3-methoxypropylamino)-6-oxo-pyridazin-1-yl]adamantane-2-carboxylic acid CAS Name: 1-[5-chloro-4-(3-methoxypropylamino)-6-oxo-1-pyridazinyl]-2-adamantanecarboxylic acid IUPAC Name: 1-[5-chloro-4-(3-methoxypropylamino)-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid Traditional Name: 1-[5-chloro-6-keto-4-(3-methoxypropylamino)pyridazin-1-yl]adamantane-2-carboxylic acid Formula: C19H26ClN3O4 MolecularWeight: 395.88044

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3C(=O)O)Cl

Isomeric SMILES

COCCCNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)C3C(=O)O)Cl

InChI

InChI=1S/C19H26ClN3O4/c1-27-4-2-3-21-14-10-22-23(17(24)16(14)20)19-8-11-5-12(9-19)7-13(6-11)15(19)18(25)26/h10-13,15,21H,2-9H2,1H3,(H,25,26)