2-[3-[5-chloranyl-4-(methylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-[5-chloranyl-4-(methylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(methylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(methylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(methylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-6-keto-4-(methylamino)pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)O)Cl

Isomeric SMILES

CNC1=C(C(=O)N(N=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)O)Cl

InChI

InChI=1S/C17H22ClN3O3/c1-19-12-8-20-21(15(24)14(12)18)17-5-10-2-11(6-17)4-16(3-10,9-17)7-13(22)23/h8,10-11,19H,2-7,9H2,1H3,(H,22,23)