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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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