N-[(2R)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide

Systemtic Name: N-[(2R)-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide Openeye Name: N-[(1R)-1-[(4-amino-3,5-dibromo-phenyl)methyl]-2-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide CAS Name: N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide Traditional Name: N-[(1R)-1-(4-amino-3,5-dibromo-benzyl)-2-keto-2-[4-(5-methoxypyrimidin-4-yl)piperazino]ethyl]-4-(2-keto-4-phenyl-4-imidazolin-1-yl)piperidine-1-carboxamide Formula: C33H37Br2N9O4 MolecularWeight: 783.51278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1N2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5C=C(NC5=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CN=CN=C1N2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)N)Br)NC(=O)N4CCC(CC4)N5C=C(NC5=O)C6=CC=CC=C6

InChI

InChI=1S/C33H37Br2N9O4/c1-48-28-18-37-20-38-30(28)41-11-13-42(14-12-41)31(45)26(17-21-15-24(34)29(36)25(35)16-21)39-32(46)43-9-7-23(8-10-43)44-19-27(40-33(44)47)22-5-3-2-4-6-22/h2-6,15-16,18-20,23,26H,7-14,17,36H2,1H3,(H,39,46)(H,40,47)/t26-/m1/s1