tert-butyl 4-[2-(6-bromanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(6-bromanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-bromo-1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-(6-bromo-1-keto-3,4-dihydroisoquinolin-2-yl)ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29BrN2O3 MolecularWeight: 437.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC3=C(C2=O)C=CC(=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCN2CCC3=C(C2=O)C=CC(=C3)Br

InChI

InChI=1S/C21H29BrN2O3/c1-21(2,3)27-20(26)24-11-7-15(8-12-24)6-10-23-13-9-16-14-17(22)4-5-18(16)19(23)25/h4-5,14-15H,6-13H2,1-3H3