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

Systemtic Name: 3-(4-bromanyl-2-fluoranyl-phenyl)-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-3-(4-bromo-2-fluoro-phenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 3-(4-bromo-2-fluorophenyl)-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-3-(4-bromo-2-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-3-(4-bromo-2-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=C(C=C(C=C3)Br)F)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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