N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylcarbonyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-2-fluoro-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-piperidinyl)methyl]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-2-fluorobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(piperidine-1-carbonyl)phenyl]-2-fluoro-benzamide Formula: C28H28FN3O2 MolecularWeight: 457.539223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3F)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H28FN3O2/c29-25-11-5-4-10-23(25)27(33)30-22-12-13-26(24(18-22)28(34)31-15-6-1-7-16-31)32-17-14-20-8-2-3-9-21(20)19-32/h2-5,8-13,18H,1,6-7,14-17,19H2,(H,30,33)