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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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