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(5S,7R)-3-bromanyl-N-(2,3-dimethylquinoxalin-6-yl)adamantane-1-carboxamide
(5S,7R)-3-bromanyl-N-(2,3-dimethylquinoxalin-6-yl)adamantane-1-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=NC2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)N=C1C
Isomeric SMILES
CC1=NC2=C(C=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br)N=C1C
InChI
InChI=1S/C21H24BrN3O/c1-12-13(2)24-18-6-16(3-4-17(18)23-12)25-19(26)20-7-14-5-15(8-20)10-21(22,9-14)11-20/h3-4,6,14-15H,5,7-11H2,1-2H3,(H,25,26)/t14-,15+,20?,21?
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