(5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methanone

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-(5-isoquinolylmethyl)-3-piperidyl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-(5-isoquinolinylmethyl)-3-piperidinyl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-3-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-[(3S)-1-(5-isoquinolylmethyl)-3-piperidyl]methanone Formula: C23H23FN2O2 MolecularWeight: 378.439323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2CCCN(C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)[C@H]2CCCN(C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H23FN2O2/c1-28-22-8-7-19(24)12-21(22)23(27)18-6-3-11-26(15-18)14-17-5-2-4-16-13-25-10-9-20(16)17/h2,4-5,7-10,12-13,18H,3,6,11,14-15H2,1H3/t18-/m0/s1