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

Systemtic Name: 2-[3-[5-chloranyl-4-(cyclopropylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-[5-chloro-4-(cyclopropylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetic acid CAS Name: 2-[3-[5-chloro-4-(cyclopropylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetic acid IUPAC Name: 2-[3-[5-chloro-4-(cyclopropylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetic acid Traditional Name: 2-[3-[5-chloro-4-(cyclopropylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetic acid Formula: C19H24ClN3O3 MolecularWeight: 377.86516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O3/c20-16-14(22-13-1-2-13)9-21-23(17(16)26)19-6-11-3-12(7-19)5-18(4-11,10-19)8-15(24)25/h9,11-13,22H,1-8,10H2,(H,24,25)