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

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-fluoro-benzamide Formula: C25H23FN2O4 MolecularWeight: 434.459523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H23FN2O4/c1-31-22-13-17-10-11-28(15-19(17)14-23(22)32-2)25(30)18-4-3-5-21(12-18)27-24(29)16-6-8-20(26)9-7-16/h3-9,12-14H,10-11,15H2,1-2H3,(H,27,29)