(3S)-2-tert-butyl-3-(1-methylindol-3-yl)-3H-isoindol-1-one

Systemtic Name: (3S)-2-tert-butyl-3-(1-methylindol-3-yl)-3H-isoindol-1-one Openeye Name: (3S)-2-tert-butyl-3-(1-methylindol-3-yl)isoindolin-1-one CAS Name: (3S)-2-tert-butyl-3-(1-methyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: (3S)-2-tert-butyl-3-(1-methylindol-3-yl)-3H-isoindol-1-one Traditional Name: (3S)-2-tert-butyl-3-(1-methylindol-3-yl)isoindolin-1-one Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O/c1-21(2,3)23-19(15-10-5-6-11-16(15)20(23)24)17-13-22(4)18-12-8-7-9-14(17)18/h5-13,19H,1-4H3/t19-/m0/s1