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

Systemtic Name: (5R)-5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoranyl-phenyl]ethynyl]-5-[(4-fluoranyl-5-methoxy-3-oxidanylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5R)-5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-phenyl]ethynyl]-5-[(7-fluoro-6-methoxy-1-oxo-isoindolin-2-yl)methyl]imidazolidine-2,4-dione CAS Name: (5R)-5-[2-[4-[(4-ethyl-1-piperazinyl)methyl]-3-fluorophenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione IUPAC Name: (5R)-5-[2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-fluorophenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione Traditional Name: (5R)-5-[2-[4-[(4-ethylpiperazino)methyl]-3-fluoro-phenyl]ethynyl]-5-[(7-fluoro-1-keto-6-methoxy-isoindolin-2-yl)methyl]hydantoin Formula: C28H29F2N5O4 MolecularWeight: 537.557766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=C(C=C2)C#CC3(C(=O)NC(=O)N3)CN4CC5=C(C4=O)C(=C(C=C5)OC)F)F

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)C#C[C@]3(C(=O)NC(=O)N3)CN4CC5=C(C4=O)C(=C(C=C5)OC)F)F

InChI

InChI=1S/C28H29F2N5O4/c1-3-33-10-12-34(13-11-33)15-19-5-4-18(14-21(19)29)8-9-28(26(37)31-27(38)32-28)17-35-16-20-6-7-22(39-2)24(30)23(20)25(35)36/h4-7,14H,3,10-13,15-17H2,1-2H3,(H2,31,32,37,38)/t28-/m1/s1