(5S,7R)-3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C19H22BrNO3/c20-19-9-12-5-13(10-19)8-18(7-12,11-19)17(22)21-14-1-2-15-16(6-14)24-4-3-23-15/h1-2,6,12-13H,3-5,7-11H2,(H,21,22)/t12-,13+,18?,19?