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

Systemtic Name: (5S,7R)-N-(1,3-benzodioxol-5-ylmethyl)-3-bromanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(1,3-benzodioxol-5-ylmethyl)-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-piperonyl-adamantane-1-carboxamide Formula: C19H22BrNO3 MolecularWeight: 392.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H22BrNO3/c20-19-7-13-3-14(8-19)6-18(5-13,10-19)17(22)21-9-12-1-2-15-16(4-12)24-11-23-15/h1-2,4,13-14H,3,5-11H2,(H,21,22)/t13-,14+,18?,19?