tert-butyl 2-[[4-azanyl-7-bromanyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-azanyl-7-bromanyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 2-[[4-amino-7-bromo-2-(ethoxymethyl)-1-imidazo[4,5-c]quinolinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 2-[[4-amino-7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H32BrN5O3 MolecularWeight: 518.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC2=C(N1CC3CCCCN3C(=O)OC(C)(C)C)C4=C(C=C(C=C4)Br)N=C2N

Isomeric SMILES

CCOCC1=NC2=C(N1CC3CCCCN3C(=O)OC(C)(C)C)C4=C(C=C(C=C4)Br)N=C2N

InChI

InChI=1S/C24H32BrN5O3/c1-5-32-14-19-28-20-21(17-10-9-15(25)12-18(17)27-22(20)26)30(19)13-16-8-6-7-11-29(16)23(31)33-24(2,3)4/h9-10,12,16H,5-8,11,13-14H2,1-4H3,(H2,26,27)