(2R,5S,7R)-1-[5-chloranyl-4-(3-methoxypropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate

Systemtic Name: (2R,5S,7R)-1-[5-chloranyl-4-(3-methoxypropylamino)-6-oxidanylidene-pyridazin-1-yl]adamantane-2-carboxylate Openeye Name: (2R,5S,7R)-1-[5-chloro-4-(3-methoxypropylamino)-6-oxo-pyridazin-1-yl]adamantane-2-carboxylate CAS Name: (2R,5S,7R)-1-[5-chloro-4-(3-methoxypropylamino)-6-oxo-1-pyridazinyl]-2-adamantanecarboxylate IUPAC Name: (2R,5S,7R)-1-[5-chloro-4-(3-methoxypropylamino)-6-oxopyridazin-1-yl]adamantane-2-carboxylate Traditional Name: (2R,5S,7R)-1-[5-chloro-6-keto-4-(3-methoxypropylamino)pyridazin-1-yl]adamantane-2-carboxylate Formula: C19H25ClN3O4- MolecularWeight: 394.8725

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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)C23C[C@@H]4C[C@H](C2)CC(C4)[C@H]3C(=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)/p-1/t11-,12+,13?,15-,19?/m0/s1