(5S,7R)-3-bromanyl-N-(4-piperidin-1-ylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-(4-piperidin-1-ylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[4-(1-piperidyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[4-(1-piperidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-(4-piperidin-1-ylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-(4-piperidinophenyl)adamantane-1-carboxamide Formula: C22H29BrN2O MolecularWeight: 417.38246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H29BrN2O/c23-22-13-16-10-17(14-22)12-21(11-16,15-22)20(26)24-18-4-6-19(7-5-18)25-8-2-1-3-9-25/h4-7,16-17H,1-3,8-15H2,(H,24,26)/t16-,17+,21?,22?