3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-morpholin-4-ylcarbonylphenyl)adamantane-1-carboxamide

Systemtic Name: 3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(4-morpholin-4-ylcarbonylphenyl)adamantane-1-carboxamide Openeye Name: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide CAS Name: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-[4-morpholinyl(oxo)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide Traditional Name: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide Formula: C24H27BrN6O5 MolecularWeight: 559.41238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C(=NC(=N6)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C(=NC(=N6)[N+](=O)[O-])Br

InChI

InChI=1S/C24H27BrN6O5/c25-21-27-22(31(34)35)28-30(21)24-12-15-9-16(13-24)11-23(10-15,14-24)20(33)26-18-3-1-17(2-4-18)19(32)29-5-7-36-8-6-29/h1-4,15-16H,5-14H2,(H,26,33)