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

Systemtic Name: (3S)-2-(3-methylbutyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-isopentyl-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: (3S)-2-(3-methylbutyl)-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-methylbutyl)-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-isoamyl-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C29H30N2O MolecularWeight: 422.5613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C)C4C5=CC=CC=C5C(=O)N4CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C)[C@@H]4C5=CC=CC=C5C(=O)N4CCC(C)C

InChI

InChI=1S/C29H30N2O/c1-19(2)17-18-31-28(22-9-5-6-10-23(22)29(31)32)26-24-11-7-8-12-25(24)30(4)27(26)21-15-13-20(3)14-16-21/h5-16,19,28H,17-18H2,1-4H3/t28-/m0/s1