(5S,7R)-3-phenyl-N-(2H-1,2,3,4-tetrazol-5-yl)adamantane-1-carboximidate

Systemtic Name: (5S,7R)-3-phenyl-N-(2H-1,2,3,4-tetrazol-5-yl)adamantane-1-carboximidate Openeye Name: (5S,7R)-3-phenyl-N-(2H-tetrazol-5-yl)adamantane-1-carboximidate CAS Name: (5S,7R)-3-phenyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboximidate IUPAC Name: (5S,7R)-3-phenyl-N-(2H-tetrazol-5-yl)adamantane-1-carboximidate Traditional Name: (5S,7R)-3-phenyl-N-(2H-tetrazol-5-yl)adamantane-1-carboximidate Formula: C18H20N5O- MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=NC4=NNN=N4)[O-])C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=NC4=NNN=N4)[O-])C5=CC=CC=C5

InChI

InChI=1S/C18H21N5O/c24-15(19-16-20-22-23-21-16)18-9-12-6-13(10-18)8-17(7-12,11-18)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H2,19,20,21,22,23,24)/p-1/t12-,13+,17?,18?