2-(3-bromanyl-1-adamantyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C24H32BrNO3 MolecularWeight: 462.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC

InChI

InChI=1S/C24H32BrNO3/c1-28-20-6-5-18(9-21(20)29-2)19-4-3-7-26(19)22(27)14-23-10-16-8-17(11-23)13-24(25,12-16)15-23/h5-6,9,16-17,19H,3-4,7-8,10-15H2,1-2H3