2-[[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-[3-(4-benzhydryloxy-1-piperidyl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-[3-[4-(diphenylmethyl)oxy-1-piperidinyl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[6-[3-(4-benzhydryloxypiperidino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]acetic acid Formula: C29H33N7O4 MolecularWeight: 543.61682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCNC4=NN5C(=NN=C5C(=O)NCC(=O)O)C=C4

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCNC4=NN5C(=NN=C5C(=O)NCC(=O)O)C=C4

InChI

InChI=1S/C29H33N7O4/c37-26(38)20-31-29(39)28-33-32-25-13-12-24(34-36(25)28)30-16-7-17-35-18-14-23(15-19-35)40-27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,23,27H,7,14-20H2,(H,30,34)(H,31,39)(H,37,38)