B8S

N-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-{[2-chloro-5-(2-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-3-oxo-2,3-dihydropyridazin-4-yl)phenyl]methyl}-4-fluorobenzamide
Identifiers~{N}-[[2-chloranyl-5-[2-[3-[4-(6-chloranyl-3-methyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]propyl]-3-oxidanylidene-pyridazin-4-yl]phenyl]methyl]-4-fluoranyl-benzamide
FormulaC34 H33 Cl2 F N6 O3
Molecular Weight663.569
TypeNON-POLYMER
Isomeric SMILESCN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C(=CC=N4)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl
InChIInChI=1S/C34H33Cl2FN6O3/c1-40-30-10-6-25(35)20-31(30)43(34(40)46)27-12-17-41(18-13-27)15-2-16-42-33(45)28(11-14-39-42)23-5-9-29(36)24(19-23)21-38-32(44)22-3-7-26(37)8-4-22/h3-11,14,19-20,27H,2,12-13,15-18,21H2,1H3,(H,38,44)
InChIKeyLWFRBSJHBRLMJP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count79
Chiral Atom Count0
Bond Count84
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL1171503
PubChem 46911715
ChEMBL CHEMBL1171503