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

Systemtic Name: 3-[5-chloranyl-4-(cyclopropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-1-carboxylic acid Openeye Name: 3-[5-chloro-4-(cyclopropylamino)-6-oxo-pyridazin-1-yl]adamantane-1-carboxylic acid CAS Name: 3-[5-chloro-4-(cyclopropylamino)-6-oxo-1-pyridazinyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[5-chloro-4-(cyclopropylamino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid Traditional Name: 3-[5-chloro-4-(cyclopropylamino)-6-keto-pyridazin-1-yl]adamantane-1-carboxylic acid Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl

Isomeric SMILES

C1CC1NC2=C(C(=O)N(N=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)O)Cl

InChI

InChI=1S/C18H22ClN3O3/c19-14-13(21-12-1-2-12)8-20-22(15(14)23)18-6-10-3-11(7-18)5-17(4-10,9-18)16(24)25/h8,10-12,21H,1-7,9H2,(H,24,25)