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

Systemtic Name: (3S)-2-(3-methylbutyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-isopentyl-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-1-one CAS Name: (3S)-2-(3-methylbutyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one IUPAC Name: (3S)-2-(3-methylbutyl)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-isoamyl-3-[2-(p-tolyl)-1H-indol-3-yl]isoindolin-1-one Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)[C@@H]4C5=CC=CC=C5C(=O)N4CCC(C)C

InChI

InChI=1S/C28H28N2O/c1-18(2)16-17-30-27(21-8-4-5-9-22(21)28(30)31)25-23-10-6-7-11-24(23)29-26(25)20-14-12-19(3)13-15-20/h4-15,18,27,29H,16-17H2,1-3H3/t27-/m0/s1