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

Systemtic Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]isoindolin-1-one CAS Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-fluorophenyl)-1-methyl-3-indolyl]-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-fluorophenyl)-1-methylindol-3-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-(3-butoxypropyl)-3-[2-(4-fluorophenyl)-1-methyl-indol-3-yl]isoindolin-1-one Formula: C30H31FN2O2 MolecularWeight: 470.577743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCOCCCN1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN2O2/c1-3-4-19-35-20-9-18-33-29(23-10-5-6-11-24(23)30(33)34)27-25-12-7-8-13-26(25)32(2)28(27)21-14-16-22(31)17-15-21/h5-8,10-17,29H,3-4,9,18-20H2,1-2H3/t29-/m0/s1