5-cyclopropyl-2-(2-nitrophenyl)-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-cyclopropyl-2-(2-nitrophenyl)-4-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-cyclopropyl-2-(2-nitrophenyl)-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-cyclopropyl-2-(2-nitrophenyl)-4-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-cyclopropyl-2-(2-nitrophenyl)-4-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-cyclopropyl-2-(2-nitrophenyl)-4-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C44H34N8O3 MolecularWeight: 722.79256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9[N+](=O)[O-]

InChI

InChI=1S/C44H34N8O3/c53-43-49(41(33-28-29-33)46-50(43)39-22-12-13-23-40(39)52(54)55)30-31-24-26-32(27-25-31)37-20-10-11-21-38(37)42-45-47-48-51(42)44(34-14-4-1-5-15-34,35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-27,33H,28-30H2