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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3,4-difluoro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-3,4-difluorobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3,4-difluorobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3,4-difluoro-benzamide Formula: C23H21F2N3O MolecularWeight: 393.429146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F2N3O/c24-20-8-7-17(12-21(20)25)23(29)27-14-22(18-6-3-10-26-13-18)28-11-9-16-4-1-2-5-19(16)15-28/h1-8,10,12-13,22H,9,11,14-15H2,(H,27,29)