tert-butyl 4-(6-fluoranyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-fluoranyl-1-oxidanylidene-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate CAS Name: 4-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-fluoro-1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(6-fluoro-1-keto-3,4-dihydro-2H-isoquinolin-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24FN3O3 MolecularWeight: 349.399863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3CCNC(=O)C3=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3CCNC(=O)C3=C2)F

InChI

InChI=1S/C18H24FN3O3/c1-18(2,3)25-17(24)22-8-6-21(7-9-22)15-11-13-12(10-14(15)19)4-5-20-16(13)23/h10-11H,4-9H2,1-3H3,(H,20,23)