N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxamide Formula: C21H18BrFN2O4 MolecularWeight: 461.281023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C21H18BrFN2O4/c22-14-4-6-18(23)13(8-14)10-24-19(26)12-3-5-16-17(9-12)21(28)25(20(16)27)11-15-2-1-7-29-15/h3-6,8-9,15H,1-2,7,10-11H2,(H,24,26)