(5S,7R)-N-(4-iodophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(4-iodophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(4-iodophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-(4-iodophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(4-iodophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(4-iodophenyl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C19H20IN5O3 MolecularWeight: 493.29827

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=C(C=C5)I

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C19H20IN5O3/c20-14-1-3-15(4-2-14)22-16(26)18-6-12-5-13(7-18)9-19(8-12,10-18)24-11-21-17(23-24)25(27)28/h1-4,11-13H,5-10H2,(H,22,26)/t12-,13+,18?,19?