tert-butyl 4-[isoquinolin-5-yl(methyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[isoquinolin-5-yl(methyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-isoquinolyl(methyl)amino]piperidine-1-carboxylate CAS Name: 4-[5-isoquinolinyl(methyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[isoquinolin-5-yl(methyl)amino]piperidine-1-carboxylate Traditional Name: 4-[5-isoquinolyl(methyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O2 MolecularWeight: 341.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)23-12-9-16(10-13-23)22(4)18-7-5-6-15-14-21-11-8-17(15)18/h5-8,11,14,16H,9-10,12-13H2,1-4H3