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

Systemtic Name: ethyl 2-[[6-[3-[4-(diphenylmethyl)oxypiperidin-1-yl]propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[6-[3-(4-benzhydryloxy-1-piperidyl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]acetate 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 ethyl ester IUPAC Name: ethyl 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]acetate Traditional Name: 2-[[6-[3-(4-benzhydryloxypiperidino)propylamino]-[1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]amino]acetic acid ethyl ester Formula: C31H37N7O4 MolecularWeight: 571.66998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=NN=C2N1N=C(C=C2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CNC(=O)C1=NN=C2N1N=C(C=C2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H37N7O4/c1-2-41-28(39)22-33-31(40)30-35-34-27-15-14-26(36-38(27)30)32-18-9-19-37-20-16-25(17-21-37)42-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-15,25,29H,2,9,16-22H2,1H3,(H,32,36)(H,33,40)