2-heptyl-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: 2-heptyl-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 2-heptyl-3-[1-methyl-2-(p-tolyl)indol-3-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 2-heptyl-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-heptyl-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 2-heptyl-3-[1-methyl-2-(p-tolyl)indol-3-yl]-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C31H38N2O MolecularWeight: 454.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCCCCN1C(C2=C(C1=O)CCCC2)C3=C(N(C4=CC=CC=C43)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H38N2O/c1-4-5-6-7-12-21-33-30(24-13-8-9-14-25(24)31(33)34)28-26-15-10-11-16-27(26)32(3)29(28)23-19-17-22(2)18-20-23/h10-11,15-20,30H,4-9,12-14,21H2,1-3H3