(5R,7S)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)adamantane-1-carboxamide

Systemtic Name: (5R,7S)-3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)adamantane-1-carboxamide Openeye Name: (5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methyl-2-oxo-chromen-7-yl)adamantane-1-carboxamide CAS Name: (5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-adamantanecarboxamide IUPAC Name: (5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)adamantane-1-carboxamide Traditional Name: (5R,7S)-3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-keto-4-methyl-chromen-7-yl)adamantane-1-carboxamide Formula: C23H23BrN4O3 MolecularWeight: 483.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N6C=NC(=N6)Br

InChI

InChI=1S/C23H23BrN4O3/c1-13-4-19(29)31-18-6-16(2-3-17(13)18)26-20(30)22-7-14-5-15(8-22)10-23(9-14,11-22)28-12-25-21(24)27-28/h2-4,6,12,14-15H,5,7-11H2,1H3,(H,26,30)/t14-,15+,22?,23?