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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-3-fluoranyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3-fluoro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-3-fluorobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-fluorobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3-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(=CC=C3)F)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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