2-[(5S,7R)-3-[5-chloranyl-4-(cyclopropylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7R)-3-[5-chloranyl-4-(cyclopropylamino)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-oxo-pyridazin-1-yl]-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-oxo-1-pyridazinyl]-1-adamantyl]acetate IUPAC Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-oxopyridazin-1-yl]-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-[5-chloro-4-(cyclopropylamino)-6-keto-pyridazin-1-yl]-1-adamantyl]acetate Formula: C19H23ClN3O3- MolecularWeight: 376.85722

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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)C34C[C@@H]5C[C@H](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)/p-1/t11-,12+,18?,19?