(5S,7R)-3-bromanyl-N-[4-(pyridin-4-ylmethyl)phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[4-(pyridin-4-ylmethyl)phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[4-(4-pyridylmethyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[4-(4-pyridylmethyl)phenyl]adamantane-1-carboxamide Formula: C23H25BrN2O MolecularWeight: 425.3614

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)NC4=CC=C(C=C4)CC5=CC=NC=C5

InChI

InChI=1S/C23H25BrN2O/c24-23-13-18-10-19(14-23)12-22(11-18,15-23)21(27)26-20-3-1-16(2-4-20)9-17-5-7-25-8-6-17/h1-8,18-19H,9-15H2,(H,26,27)/t18-,19+,22?,23?