6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propoxy]-2-(triphenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Systemtic Name: 6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propoxy]-2-(triphenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one Openeye Name: 6-[3-(4-benzhydryloxy-1-piperidyl)propoxy]-2-trityl-[1,2,4]triazolo[4,3-b]pyridazin-3-one CAS Name: 6-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propoxy]-2-(triphenylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one IUPAC Name: 6-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-2-trityl-[1,2,4]triazolo[4,3-b]pyridazin-3-one Traditional Name: 6-[3-(4-benzhydryloxypiperidino)propoxy]-2-trityl-[1,2,4]triazolo[4,3-b]pyridazin-3-one Formula: C45H43N5O3 MolecularWeight: 701.85462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=NN5C(=NN(C5=O)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C=C4

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=NN5C(=NN(C5=O)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C=C4

InChI

InChI=1S/C45H43N5O3/c51-44-49-41(46-50(44)45(37-21-10-3-11-22-37,38-23-12-4-13-24-38)39-25-14-5-15-26-39)27-28-42(47-49)52-34-16-31-48-32-29-40(30-33-48)53-43(35-17-6-1-7-18-35)36-19-8-2-9-20-36/h1-15,17-28,40,43H,16,29-34H2