2-(2-ethylhexyl)-3-(1-methyl-2-phenyl-indol-3-yl)-3H-isoindol-1-one

Systemtic Name: 2-(2-ethylhexyl)-3-(1-methyl-2-phenyl-indol-3-yl)-3H-isoindol-1-one Openeye Name: 2-(2-ethylhexyl)-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-1-one CAS Name: 2-(2-ethylhexyl)-3-(1-methyl-2-phenyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: 2-(2-ethylhexyl)-3-(1-methyl-2-phenylindol-3-yl)-3H-isoindol-1-one Traditional Name: 2-(2-ethylhexyl)-3-(1-methyl-2-phenyl-indol-3-yl)isoindolin-1-one Formula: C31H34N2O MolecularWeight: 450.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

Isomeric SMILES

CCCCC(CC)CN1C(C2=CC=CC=C2C1=O)C3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5

InChI

InChI=1S/C31H34N2O/c1-4-6-14-22(5-2)21-33-30(24-17-10-11-18-25(24)31(33)34)28-26-19-12-13-20-27(26)32(3)29(28)23-15-8-7-9-16-23/h7-13,15-20,22,30H,4-6,14,21H2,1-3H3