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

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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(CC(C)C)C(=O)N6CCN(CC6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2C)C4C5=CC=CC=C5C(=O)N4C(CC(C)C)C(=O)N6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C40H42N4O2/c1-27(2)26-35(40(46)43-24-22-42(23-25-43)30-12-6-5-7-13-30)44-38(31-14-8-9-15-32(31)39(44)45)36-33-16-10-11-17-34(33)41(4)37(36)29-20-18-28(3)19-21-29/h5-21,27,35,38H,22-26H2,1-4H3