N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-bromanyl-2,4-dimethoxy-benzamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-bromanyl-2,4-dimethoxy-benzamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-bromo-2,4-dimethoxy-benzamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-5-bromo-2,4-dimethoxybenzamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-bromo-2,4-dimethoxybenzamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-bromo-2,4-dimethoxy-benzamide Formula: C22H31BrN2O3 MolecularWeight: 451.39714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)Br)OC

InChI

InChI=1S/C22H31BrN2O3/c1-27-19-12-20(28-2)18(23)11-17(19)22(26)24-16-9-10-25(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21H,3-10,13H2,1-2H3,(H,24,26)