2-[3-[[2,2-bis(fluoranyl)-2-pyridin-2-yl-ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[2-[1-(triphenylmethyl)imidazol-4-yl]phenyl]methyl]ethanamide

Systemtic Name: 2-[3-[[2,2-bis(fluoranyl)-2-pyridin-2-yl-ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[2-[1-(triphenylmethyl)imidazol-4-yl]phenyl]methyl]ethanamide Openeye Name: 2-[6-chloro-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-oxo-pyrazin-1-yl]-N-[[2-(1-tritylimidazol-4-yl)phenyl]methyl]acetamide CAS Name: 2-[6-chloro-3-[[2,2-difluoro-2-(2-pyridinyl)ethyl]amino]-2-oxo-1-pyrazinyl]-N-[[2-[1-(triphenylmethyl)-4-imidazolyl]phenyl]methyl]acetamide IUPAC Name: 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1-tritylimidazol-4-yl)phenyl]methyl]acetamide Traditional Name: 2-[6-chloro-3-[[2,2-difluoro-2-(2-pyridyl)ethyl]amino]-2-keto-pyrazin-1-yl]-N-[2-(1-tritylimidazol-4-yl)benzyl]acetamide Formula: C42H34ClF2N7O2 MolecularWeight: 742.214866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=CC=CC=C5CNC(=O)CN6C(=CN=C(C6=O)NCC(C7=CC=CC=N7)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=CC=CC=C5CNC(=O)CN6C(=CN=C(C6=O)NCC(C7=CC=CC=N7)(F)F)Cl

InChI

InChI=1S/C42H34ClF2N7O2/c43-37-25-48-39(49-28-41(44,45)36-22-12-13-23-46-36)40(54)52(37)27-38(53)47-24-30-14-10-11-21-34(30)35-26-51(29-50-35)42(31-15-4-1-5-16-31,32-17-6-2-7-18-32)33-19-8-3-9-20-33/h1-23,25-26,29H,24,27-28H2,(H,47,53)(H,48,49)