N5-[2-(4-fluorophenyl)ethyl]-2-[4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(4-methylphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]-4-oxidanylidene-butanoyl]-N6-[(4-methylphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide

Systemtic Name: N5-[2-(4-fluorophenyl)ethyl]-2-[4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(4-methylphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]-4-oxidanylidene-butanoyl]-N6-[(4-methylphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide Openeye Name: N6-[2-(4-fluorophenyl)ethyl]-2-[4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-(p-tolylmethylcarbamoyl)isoindolin-2-yl]-4-oxo-butanoyl]-N5-(p-tolylmethyl)isoindoline-5,6-dicarboxamide CAS Name: N5-[2-(4-fluorophenyl)ethyl]-2-[4-[5-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-6-[[(4-methylphenyl)methylamino]-oxomethyl]-1,3-dihydroisoindol-2-yl]-1,4-dioxobutyl]-N6-[(4-methylphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide IUPAC Name: 5-N-[2-(4-fluorophenyl)ethyl]-2-[4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(4-methylphenyl)methylcarbamoyl]-1,3-dihydroisoindol-2-yl]-4-oxobutanoyl]-6-N-[(4-methylphenyl)methyl]-1,3-dihydroisoindole-5,6-dicarboxamide Traditional Name: N'-[2-(4-fluorophenyl)ethyl]-2-[4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(4-methylbenzyl)carbamoyl]isoindolin-2-yl]-4-keto-butanoyl]-N-(4-methylbenzyl)isoindoline-5,6-dicarboxamide Formula: C56H54F2N6O6 MolecularWeight: 945.061366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(CN(C3)C(=O)CCC(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCC6=CC=C(C=C6)F)C(=O)NCC7=CC=C(C=C7)C)C=C2C(=O)NCCC8=CC=C(C=C8)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(CN(C3)C(=O)CCC(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCC6=CC=C(C=C6)F)C(=O)NCC7=CC=C(C=C7)C)C=C2C(=O)NCCC8=CC=C(C=C8)F

InChI

InChI=1S/C56H54F2N6O6/c1-35-3-7-39(8-4-35)29-61-55(69)49-27-43-33-63(31-41(43)25-47(49)53(67)59-23-21-37-11-15-45(57)16-12-37)51(65)19-20-52(66)64-32-42-26-48(54(68)60-24-22-38-13-17-46(58)18-14-38)50(28-44(42)34-64)56(70)62-30-40-9-5-36(2)6-10-40/h3-18,25-28H,19-24,29-34H2,1-2H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)