N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoranyl-2-nitro-benzamide

Systemtic Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoranyl-2-nitro-benzamide Openeye Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoro-2-nitro-benzamide CAS Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoro-2-nitrobenzamide IUPAC Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoro-2-nitrobenzamide Traditional Name: N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-fluoro-2-nitro-benzamide Formula: C26H26FN3O5 MolecularWeight: 479.500143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)F)[N+](=O)[O-])OC

InChI

InChI=1S/C26H26FN3O5/c1-34-24-13-18-10-12-29(16-19(18)14-25(24)35-2)11-9-17-3-6-21(7-4-17)28-26(31)22-15-20(27)5-8-23(22)30(32)33/h3-8,13-15H,9-12,16H2,1-2H3,(H,28,31)