(3S)-2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)-3H-isoindol-1-one

Systemtic Name: (3S)-2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)-3H-isoindol-1-one Openeye Name: (3S)-2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-1-one CAS Name: (3S)-2-tert-butyl-3-(1-methyl-2-phenyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: (3S)-2-tert-butyl-3-(1-methyl-2-phenylindol-3-yl)-3H-isoindol-1-one Traditional Name: (3S)-2-tert-butyl-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-1-one Formula: C27H26N2O MolecularWeight: 394.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1[C@@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O/c1-27(2,3)29-25(19-14-8-9-15-20(19)26(29)30)23-21-16-10-11-17-22(21)28(4)24(23)18-12-6-5-7-13-18/h5-17,25H,1-4H3/t25-/m0/s1