3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-2-[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one

Systemtic Name: 3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-2-[3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[2-methyl-1-(4-phenylpiperazine-1-carbonyl)butyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one CAS Name: 3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-2-[3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)pentan-2-yl]-3H-isoindol-1-one IUPAC Name: 3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-2-[3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[2-methyl-1-(4-phenylpiperazine-1-carbonyl)butyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C40H42N4O2 MolecularWeight: 610.78708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(C4=CC=CC=C4C3=O)C5=C(N(C6=CC=CC=C65)C)C7=CC=C(C=C7)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(C4=CC=CC=C4C3=O)C5=C(N(C6=CC=CC=C65)C)C7=CC=C(C=C7)C

InChI

InChI=1S/C40H42N4O2/c1-5-28(3)36(40(46)43-25-23-42(24-26-43)30-13-7-6-8-14-30)44-38(31-15-9-10-16-32(31)39(44)45)35-33-17-11-12-18-34(33)41(4)37(35)29-21-19-27(2)20-22-29/h6-22,28,36,38H,5,23-26H2,1-4H3