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

Systemtic Name: (5S,7R)-N-[4-(azepan-1-yl)phenyl]-3-bromanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(azepan-1-yl)phenyl]-3-bromo-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(1-azepanyl)phenyl]-3-bromo-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(azepan-1-yl)phenyl]-3-bromoadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(azepan-1-yl)phenyl]-3-bromo-adamantane-1-carboxamide Formula: C23H31BrN2O MolecularWeight: 431.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H31BrN2O/c24-23-14-17-11-18(15-23)13-22(12-17,16-23)21(27)25-19-5-7-20(8-6-19)26-9-3-1-2-4-10-26/h5-8,17-18H,1-4,9-16H2,(H,25,27)/t17-,18+,22?,23?