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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC2C1C(=O)N(C2C3=CC(=C(C=C3)F)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1CC=CC2C1C(=O)N(C2C3=CC(=C(C=C3)F)Br)CC4=CC=CC=C4

InChI

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