3-(2-fluoranyl-5-methyl-phenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one

Systemtic Name: 3-(2-fluoranyl-5-methyl-phenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Openeye Name: 2-benzyl-3-(2-fluoro-5-methyl-phenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one CAS Name: 3-(2-fluoro-5-methylphenyl)-7-phenyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-benzyl-3-(2-fluoro-5-methylphenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Traditional Name: 2-benzyl-3-(2-fluoro-5-methyl-phenyl)-7-phenyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one Formula: C28H26FNO MolecularWeight: 411.510543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)C2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)F)C2C3C=CCC(C3C(=O)N2CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26FNO/c1-19-15-16-25(29)24(17-19)27-23-14-8-13-22(21-11-6-3-7-12-21)26(23)28(31)30(27)18-20-9-4-2-5-10-20/h2-12,14-17,22-23,26-27H,13,18H2,1H3