(3S)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one

Systemtic Name: (3S)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Openeye Name: (3S)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]-2-isopentyl-isoindolin-1-one CAS Name: (3S)-3-[2-(4-fluorophenyl)-1-methyl-3-indolyl]-2-(3-methylbutyl)-3H-isoindol-1-one IUPAC Name: (3S)-3-[2-(4-fluorophenyl)-1-methylindol-3-yl]-2-(3-methylbutyl)-3H-isoindol-1-one Traditional Name: (3S)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]-2-isoamyl-isoindolin-1-one Formula: C28H27FN2O MolecularWeight: 426.525183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)CCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN2O/c1-18(2)16-17-31-27(21-8-4-5-9-22(21)28(31)32)25-23-10-6-7-11-24(23)30(3)26(25)19-12-14-20(29)15-13-19/h4-15,18,27H,16-17H2,1-3H3/t27-/m0/s1