3-(3-bromanyl-4-fluoranyl-phenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-(3-bromanyl-4-fluoranyl-phenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one Openeye Name: 2-benzyl-3-(3-bromo-4-fluoro-phenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one CAS Name: 3-(3-bromo-4-fluorophenyl)-7a-methyl-2-(phenylmethyl)-3,3a,6,7-tetrahydroisoindol-1-one IUPAC Name: 2-benzyl-3-(3-bromo-4-fluorophenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Traditional Name: 2-benzyl-3-(3-bromo-4-fluoro-phenyl)-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one Formula: C22H21BrFNO MolecularWeight: 414.310643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC(=C(C=C4)F)Br

Isomeric SMILES

CC12CCC=CC1C(N(C2=O)CC3=CC=CC=C3)C4=CC(=C(C=C4)F)Br

InChI

InChI=1S/C22H21BrFNO/c1-22-12-6-5-9-17(22)20(16-10-11-19(24)18(23)13-16)25(21(22)26)14-15-7-3-2-4-8-15/h2-5,7-11,13,17,20H,6,12,14H2,1H3