(5S,7R)-N-(1,3-benzodioxol-5-yl)-3-bromanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-bromanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-bromo-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(1,3-benzodioxol-5-yl)-3-bromo-adamantane-1-carboxamide Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H20BrNO3/c19-18-7-11-3-12(8-18)6-17(5-11,9-18)16(21)20-13-1-2-14-15(4-13)23-10-22-14/h1-2,4,11-12H,3,5-10H2,(H,20,21)/t11-,12+,17?,18?