[(1R,4S)-5-bromanyl-6-phenyl-6-pyridin-2-yl-5-bicyclo[2.1.1]hexanyl]-phenyl-methanone

Systemtic Name: [(1R,4S)-5-bromanyl-6-phenyl-6-pyridin-2-yl-5-bicyclo[2.1.1]hexanyl]-phenyl-methanone Openeye Name: [(1R,4S)-5-bromo-6-phenyl-6-(2-pyridyl)-5-bicyclo[2.1.1]hexanyl]-phenyl-methanone CAS Name: [(1R,4S)-5-bromo-6-phenyl-6-(2-pyridinyl)-5-bicyclo[2.1.1]hexanyl]-phenylmethanone IUPAC Name: [(1R,4S)-5-bromo-6-phenyl-6-pyridin-2-yl-5-bicyclo[2.1.1]hexanyl]-phenylmethanone Traditional Name: [(1R,4S)-5-bromo-6-phenyl-6-(2-pyridyl)-5-bicyclo[2.1.1]hexanyl]-phenyl-methanone Formula: C24H20BrNO MolecularWeight: 418.3257

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1C2(C(=O)C3=CC=CC=C3)Br)(C4=CC=CC=C4)C5=CC=CC=N5

Isomeric SMILES

C1C[C@H]2C([C@@H]1C2(C(=O)C3=CC=CC=C3)Br)(C4=CC=CC=C4)C5=CC=CC=N5

InChI

InChI=1S/C24H20BrNO/c25-24(22(27)17-9-3-1-4-10-17)19-14-15-20(24)23(19,18-11-5-2-6-12-18)21-13-7-8-16-26-21/h1-13,16,19-20H,14-15H2/t19-,20+,23?,24?