tert-butyl [3-[5-(3-chloranylpropylcarbamoylamino)-2-propyl-imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[5-(3-chloranylpropylcarbamoylamino)-2-propyl-imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[5-(3-chloropropylcarbamoylamino)-2-propyl-imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[5-[[(3-chloropropylamino)-oxomethyl]amino]-2-propyl-3-imidazo[4,5-b]pyridinyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[5-(3-chloropropylcarbamoylamino)-2-propylimidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[5-(3-chloropropylcarbamoylamino)-2-propyl-imidazo[4,5-b]pyridin-3-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C31H36ClN5O4 MolecularWeight: 578.10164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)N=C(C=C2)NC(=O)NCCCCl

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)N=C(C=C2)NC(=O)NCCCCl

InChI

InChI=1S/C31H36ClN5O4/c1-6-11-26-34-23-15-17-25(36-29(38)33-19-10-18-32)35-28(23)37(26)24-16-14-22(21-12-8-7-9-13-21)27(20(24)2)40-30(39)41-31(3,4)5/h7-9,12-17H,6,10-11,18-19H2,1-5H3,(H2,33,35,36,38)