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

Systemtic Name: (5S)-5-[2-[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]ethynyl]-5-[(4-fluoranyl-5-methoxy-3-oxidanylidene-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5S)-5-[2-[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]ethynyl]-5-[(7-fluoro-6-methoxy-1-oxo-isoindolin-2-yl)methyl]imidazolidine-2,4-dione CAS Name: (5S)-5-[2-[4-[(4-cyclohexyl-1-piperazinyl)methyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-[2-[4-[(4-cyclohexylpiperazin-1-yl)methyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione Traditional Name: (5S)-5-[2-[4-[(4-cyclohexylpiperazino)methyl]phenyl]ethynyl]-5-[(7-fluoro-1-keto-6-methoxy-isoindolin-2-yl)methyl]hydantoin Formula: C32H36FN5O4 MolecularWeight: 573.657743

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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)C6CCCCC6)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)C6CCCCC6)C=C1)F

InChI

InChI=1S/C32H36FN5O4/c1-42-26-12-11-24-20-38(29(39)27(24)28(26)33)21-32(30(40)34-31(41)35-32)14-13-22-7-9-23(10-8-22)19-36-15-17-37(18-16-36)25-5-3-2-4-6-25/h7-12,25H,2-6,15-21H2,1H3,(H2,34,35,40,41)/t32-/m0/s1