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

Systemtic Name: (3R)-2-butyl-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Openeye Name: (3R)-2-butyl-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: (3R)-2-butyl-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-3H-isoindol-1-one IUPAC Name: (3R)-2-butyl-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Traditional Name: (3R)-2-butyl-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C28H28N2O MolecularWeight: 408.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCN1[C@H](C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H28N2O/c1-4-5-18-30-27(21-10-6-7-11-22(21)28(30)31)25-23-12-8-9-13-24(23)29(3)26(25)20-16-14-19(2)15-17-20/h6-17,27H,4-5,18H2,1-3H3/t27-/m1/s1