ethyl 1-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C18H20F3N5O4 MolecularWeight: 427.37771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=NN=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C18H20F3N5O4/c1-3-30-17(28)11-5-4-8-25(10-11)16(27)12-9-22-26(15(12)18(19,20)21)13-6-7-14(29-2)24-23-13/h6-7,9,11H,3-5,8,10H2,1-2H3