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

Systemtic Name: 2-azanyl-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-fluoranyl-benzamide Openeye Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-fluoro-benzamide CAS Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-fluorobenzamide IUPAC Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-fluorobenzamide Traditional Name: 2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-fluoro-benzamide Formula: C26H28FN3O3 MolecularWeight: 449.517223

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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=C(C=C4)F)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28FN3O3/c1-32-24-13-18-10-12-30(16-19(18)14-25(24)33-2)11-9-17-3-6-21(7-4-17)29-26(31)22-8-5-20(27)15-23(22)28/h3-8,13-15H,9-12,16,28H2,1-2H3,(H,29,31)