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

Systemtic Name: N-[[4-carbamimidoyl-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(4-methyl-3-oxidanylidene-1H-isoindol-2-yl)ethanamide Openeye Name: N-[[4-carbamimidoyl-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(7-methyl-1-oxo-isoindolin-2-yl)acetamide CAS Name: N-[[4-carbamimidoyl-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(4-methyl-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: N-[[4-carbamimidoyl-2-[(2-fluorophenyl)methylamino]phenyl]methyl]-2-ethoxy-2-(4-methyl-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: N-[4-amidino-2-[(2-fluorobenzyl)amino]benzyl]-2-ethoxy-2-(1-keto-7-methyl-isoindolin-2-yl)acetamide Formula: C28H30FN5O3 MolecularWeight: 503.567903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=C(C=C(C=C1)C(=N)N)NCC2=CC=CC=C2F)N3CC4=C(C3=O)C(=CC=C4)C

Isomeric SMILES

CCOC(C(=O)NCC1=C(C=C(C=C1)C(=N)N)NCC2=CC=CC=C2F)N3CC4=C(C3=O)C(=CC=C4)C

InChI

InChI=1S/C28H30FN5O3/c1-3-37-28(34-16-21-9-6-7-17(2)24(21)27(34)36)26(35)33-15-20-12-11-18(25(30)31)13-23(20)32-14-19-8-4-5-10-22(19)29/h4-13,28,32H,3,14-16H2,1-2H3,(H3,30,31)(H,33,35)