2-(3-bromanyl-1-adamantyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[(6-pyrrolidino-3-pyridyl)methyl]acetamide Formula: C22H30BrN3O MolecularWeight: 432.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H30BrN3O/c23-22-10-17-7-18(11-22)9-21(8-17,15-22)12-20(27)25-14-16-3-4-19(24-13-16)26-5-1-2-6-26/h3-4,13,17-18H,1-2,5-12,14-15H2,(H,25,27)