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

Systemtic Name: 3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: 3-[1-methyl-2-(p-tolyl)indol-3-yl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: 3-[1-methyl-2-(4-methylphenyl)-3-indolyl]-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3H-isoindol-1-one IUPAC Name: 3-[1-methyl-2-(4-methylphenyl)indol-3-yl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: 2-[2-keto-2-(4-phenylpiperazino)ethyl]-3-[1-methyl-2-(p-tolyl)indol-3-yl]isoindolin-1-one Formula: C36H34N4O2 MolecularWeight: 554.68076

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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)N4CC(=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)N4CC(=O)N6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C36H34N4O2/c1-25-16-18-26(19-17-25)34-33(30-14-8-9-15-31(30)37(34)2)35-28-12-6-7-13-29(28)36(42)40(35)24-32(41)39-22-20-38(21-23-39)27-10-4-3-5-11-27/h3-19,35H,20-24H2,1-2H3