2-[(2-bromophenyl)methyl]-1-ethenyl-N-(4-fluorophenyl)-7-oxidanyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(2-bromophenyl)methyl]-1-ethenyl-N-(4-fluorophenyl)-7-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(2-bromophenyl)methyl]-N-(4-fluorophenyl)-7-hydroxy-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(2-bromophenyl)methyl]-1-ethenyl-N-(4-fluorophenyl)-7-hydroxy-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(2-bromophenyl)methyl]-1-ethenyl-N-(4-fluorophenyl)-7-hydroxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-(2-bromobenzyl)-N-(4-fluorophenyl)-7-hydroxy-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C25H20BrFN2O2 MolecularWeight: 479.340903

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=CC=C3Br)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=CC=C3Br)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H20BrFN2O2/c1-2-24-21-13-19(30)11-12-20(21)22(25(31)28-18-9-7-17(27)8-10-18)15-29(24)14-16-5-3-4-6-23(16)26/h2-13,15,24,30H,1,14H2,(H,28,31)