tert-butyl 1-[2-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[2-[4-(5-fluoro-1H-indol-3-yl)-1-piperidyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-[4-(5-fluoro-1H-indol-3-yl)-1-piperidinyl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidino]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H36FN3O2 MolecularWeight: 477.613443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1CCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1CCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)F

InChI

InChI=1S/C29H36FN3O2/c1-29(2,3)35-28(34)33-17-12-20-6-4-5-7-23(20)27(33)13-16-32-14-10-21(11-15-32)25-19-31-26-9-8-22(30)18-24(25)26/h4-9,18-19,21,27,31H,10-17H2,1-3H3