N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-4-fluoro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-4-fluorobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-4-fluorobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-4-fluoro-benzamide Formula: C23H22FN3O MolecularWeight: 375.438683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C23H22FN3O/c24-21-9-7-18(8-10-21)23(28)26-15-22(19-6-3-12-25-14-19)27-13-11-17-4-1-2-5-20(17)16-27/h1-10,12,14,22H,11,13,15-16H2,(H,26,28)