N-[[4-cyano-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxidanylidene-1H-isoindol-2-yl)ethanamide

Systemtic Name: N-[[4-cyano-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxidanylidene-1H-isoindol-2-yl)ethanamide Openeye Name: N-[[4-cyano-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(4-methyl-1-oxo-isoindolin-2-yl)acetamide CAS Name: N-[[4-cyano-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: N-[[4-cyano-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(7-methyl-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: N-[4-cyano-2-[(2-fluorobenzyl)amino]benzyl]-2-ethoxy-2-(1-keto-4-methyl-isoindolin-2-yl)acetamide Formula: C28H27FN4O3 MolecularWeight: 486.537383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=C(C=C(C=C1)C#N)NCC2=CC=CC=C2F)N3CC4=C(C3=O)C=CC=C4C

Isomeric SMILES

CCOC(C(=O)NCC1=C(C=C(C=C1)C#N)NCC2=CC=CC=C2F)N3CC4=C(C3=O)C=CC=C4C

InChI

InChI=1S/C28H27FN4O3/c1-3-36-28(33-17-23-18(2)7-6-9-22(23)27(33)35)26(34)32-16-21-12-11-19(14-30)13-25(21)31-15-20-8-4-5-10-24(20)29/h4-13,28,31H,3,15-17H2,1-2H3,(H,32,34)