6-fluoranyl-1-phenyl-2-piperidin-3-yl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-1-phenyl-2-piperidin-3-yl-1H-isoquinoline-4-carboxylic acid Openeye Name: 6-fluoro-1-phenyl-2-(3-piperidyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 6-fluoro-1-phenyl-2-(3-piperidinyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 6-fluoro-1-phenyl-2-piperidin-3-yl-1H-isoquinoline-4-carboxylic acid Traditional Name: 6-fluoro-1-phenyl-2-(3-piperidyl)-1H-isoquinoline-4-carboxylic acid Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)N2C=C(C3=C(C2C4=CC=CC=C4)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CC(CNC1)N2C=C(C3=C(C2C4=CC=CC=C4)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C21H21FN2O2/c22-15-8-9-17-18(11-15)19(21(25)26)13-24(16-7-4-10-23-12-16)20(17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,16,20,23H,4,7,10,12H2,(H,25,26)