2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-4,6-dimethyl-5-methylidene-cyclohex-2-en-1-one

Systemtic Name: 2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-4,6-dimethyl-5-methylidene-cyclohex-2-en-1-one Openeye Name: 2-(2-benzhydrylquinuclidin-3-yl)-4,6-dimethyl-5-methylene-cyclohex-2-en-1-one CAS Name: 2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-4,6-dimethyl-5-methylene-1-cyclohex-2-enone IUPAC Name: 2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)-4,6-dimethyl-5-methylidenecyclohex-2-en-1-one Traditional Name: 2-(2-benzhydrylquinuclidin-3-yl)-4,6-dimethyl-5-methylene-cyclohex-2-en-1-one Formula: C29H33NO MolecularWeight: 411.57842

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(=O)C(C1=C)C)C2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

Isomeric SMILES

CC1C=C(C(=O)C(C1=C)C)C2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

InChI

InChI=1S/C29H33NO/c1-19-18-25(29(31)21(3)20(19)2)27-24-14-16-30(17-15-24)28(27)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,18-19,21,24,26-28H,2,14-17H2,1,3H3