(5R)-5-[(4-fluoranyl-5-methoxy-3-oxidanylidene-1H-isoindol-2-yl)methyl]-5-[2-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]ethynyl]imidazolidine-2,4-dione

Systemtic Name: (5R)-5-[(4-fluoranyl-5-methoxy-3-oxidanylidene-1H-isoindol-2-yl)methyl]-5-[2-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]ethynyl]imidazolidine-2,4-dione Openeye Name: (5R)-5-[(7-fluoro-6-methoxy-1-oxo-isoindolin-2-yl)methyl]-5-[2-[4-[[4-(4-pyridyl)piperazin-1-yl]methyl]phenyl]ethynyl]imidazolidine-2,4-dione CAS Name: (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[(4-pyridin-4-yl-1-piperazinyl)methyl]phenyl]ethynyl]imidazolidine-2,4-dione IUPAC Name: (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]ethynyl]imidazolidine-2,4-dione Traditional Name: (5R)-5-[(7-fluoro-1-keto-6-methoxy-isoindolin-2-yl)methyl]-5-[2-[4-[[4-(4-pyridyl)piperazino]methyl]phenyl]ethynyl]hydantoin Formula: C31H29FN6O4 MolecularWeight: 568.598163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(CN(C2=O)CC3(C(=O)NC(=O)N3)C#CC4=CC=C(C=C4)CN5CCN(CC5)C6=CC=NC=C6)C=C1)F

Isomeric SMILES

COC1=C(C2=C(CN(C2=O)C[C@@]3(C(=O)NC(=O)N3)C#CC4=CC=C(C=C4)CN5CCN(CC5)C6=CC=NC=C6)C=C1)F

InChI

InChI=1S/C31H29FN6O4/c1-42-25-7-6-23-19-38(28(39)26(23)27(25)32)20-31(29(40)34-30(41)35-31)11-8-21-2-4-22(5-3-21)18-36-14-16-37(17-15-36)24-9-12-33-13-10-24/h2-7,9-10,12-13H,14-20H2,1H3,(H2,34,35,40,41)/t31-/m1/s1