tert-butyl 4-[5-cyano-1-(4-fluorophenyl)indol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-cyano-1-(4-fluorophenyl)indol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-cyano-1-(4-fluorophenyl)indol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-cyano-1-(4-fluorophenyl)-3-indolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-cyano-1-(4-fluorophenyl)indol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-cyano-1-(4-fluorophenyl)indol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H26FN3O2 MolecularWeight: 419.491243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN(C3=C2C=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O2/c1-25(2,3)31-24(30)28-12-10-18(11-13-28)22-16-29(20-7-5-19(26)6-8-20)23-9-4-17(15-27)14-21(22)23/h4-9,14,16,18H,10-13H2,1-3H3