[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-isoquinolin-1-yl-methanone

Systemtic Name: [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-isoquinolin-1-yl-methanone Openeye Name: [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidyl]-(1-isoquinolyl)methanone CAS Name: [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-(1-isoquinolinyl)methanone IUPAC Name: [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-isoquinolin-1-ylmethanone Traditional Name: [(3S)-3-(4-fluorobenzyl)-3-methylol-piperidino]-(1-isoquinolyl)methanone Formula: C23H23FN2O2 MolecularWeight: 378.439323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=CC3=CC=CC=C32)(CC4=CC=C(C=C4)F)CO

Isomeric SMILES

C1C[C@@](CN(C1)C(=O)C2=NC=CC3=CC=CC=C32)(CC4=CC=C(C=C4)F)CO

InChI

InChI=1S/C23H23FN2O2/c24-19-8-6-17(7-9-19)14-23(16-27)11-3-13-26(15-23)22(28)21-20-5-2-1-4-18(20)10-12-25-21/h1-2,4-10,12,27H,3,11,13-16H2/t23-/m0/s1