1-[3-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-2-propyl-imidazo[4,5-b]pyridin-5-yl]-1-(2-methylpropyl)-3-(phenylmethyl)urea

Systemtic Name: 1-[3-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-2-propyl-imidazo[4,5-b]pyridin-5-yl]-1-(2-methylpropyl)-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-isobutyl-1-[3-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]-2-propyl-imidazo[4,5-b]pyridin-5-yl]urea CAS Name: 1-[3-[2-methyl-4-phenyl-3-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]-2-propyl-5-imidazo[4,5-b]pyridinyl]-1-(2-methylpropyl)-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[3-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]-2-propylimidazo[4,5-b]pyridin-5-yl]-1-(2-methylpropyl)urea Traditional Name: 3-benzyl-1-isobutyl-1-[3-[2-methyl-4-phenyl-3-(1-trityltetrazol-5-yl)phenyl]-2-propyl-imidazo[4,5-b]pyridin-5-yl]urea Formula: C54H51N9O MolecularWeight: 842.04244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)N=C(C=C2)N(CC(C)C)C(=O)NCC9=CC=CC=C9

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C)N=C(C=C2)N(CC(C)C)C(=O)NCC9=CC=CC=C9

InChI

InChI=1S/C54H51N9O/c1-5-21-49-56-46-33-35-48(61(37-38(2)3)53(64)55-36-40-22-11-6-12-23-40)57-51(46)62(49)47-34-32-45(41-24-13-7-14-25-41)50(39(47)4)52-58-59-60-63(52)54(42-26-15-8-16-27-42,43-28-17-9-18-29-43)44-30-19-10-20-31-44/h6-20,22-35,38H,5,21,36-37H2,1-4H3,(H,55,64)