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

Systemtic Name: 2-[1-(1-adamantyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Openeye Name: 2-[1-(1-adamantyl)ethyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: 2-[1-(1-adamantyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-3H-isoindol-1-one IUPAC Name: 2-[1-(1-adamantyl)ethyl]-3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3H-isoindol-1-one Traditional Name: 2-[1-(1-adamantyl)ethyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C36H38N2O MolecularWeight: 514.69972

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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)N4C(C)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C)C4C5=CC=CC=C5C(=O)N4C(C)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C36H38N2O/c1-22-12-14-27(15-13-22)33-32(30-10-6-7-11-31(30)37(33)3)34-28-8-4-5-9-29(28)35(39)38(34)23(2)36-19-24-16-25(20-36)18-26(17-24)21-36/h4-15,23-26,34H,16-21H2,1-3H3