N-[4-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[4-[5-methyl-2,4-bis(oxidanylidene)-1H-imidazo[4,5-c]quinolin-3-yl]piperidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[4-[5-methyl-2,4-bis(oxidanylidene)-1H-imidazo[4,5-c]quinolin-3-yl]piperidin-1-yl]-1,4-bis(oxidanylidene)butan-2-yl]-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-[3-(4-amino-3,5-dibromo-phenyl)-1-[4-(5-methyl-2,4-dioxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbonyl]-3-oxo-propyl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: N-[4-(4-amino-3,5-dibromophenyl)-1-[4-(5-methyl-2,4-dioxo-1H-imidazo[4,5-c]quinolin-3-yl)-1-piperidinyl]-1,4-dioxobutan-2-yl]-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: N-[4-(4-amino-3,5-dibromophenyl)-1-[4-(5-methyl-2,4-dioxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidin-1-yl]-1,4-dioxobutan-2-yl]-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-[3-(4-amino-3,5-dibromo-phenyl)-1-[4-(2,4-diketo-5-methyl-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbonyl]-3-keto-propyl]-2-(4-methylpiperazino)acetamide Formula: C33H38Br2N8O5 MolecularWeight: 786.51342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC(CC(=O)C2=CC(=C(C(=C2)Br)N)Br)C(=O)N3CCC(CC3)N4C5=C(C6=CC=CC=C6N(C5=O)C)NC4=O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC(CC(=O)C2=CC(=C(C(=C2)Br)N)Br)C(=O)N3CCC(CC3)N4C5=C(C6=CC=CC=C6N(C5=O)C)NC4=O

InChI

InChI=1S/C33H38Br2N8O5/c1-39-11-13-41(14-12-39)18-27(45)37-24(17-26(44)19-15-22(34)28(36)23(35)16-19)31(46)42-9-7-20(8-10-42)43-30-29(38-33(43)48)21-5-3-4-6-25(21)40(2)32(30)47/h3-6,15-16,20,24H,7-14,17-18,36H2,1-2H3,(H,37,45)(H,38,48)