ethyl 2-[1-[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[1-[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonylpiperidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[[1-[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-pyrazole-4-carbonyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-4-pyrazolyl]-oxomethyl]-4-piperidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carbonyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-5-keto-2-methyl-3-pyrazoline-4-carbonyl]-4-piperidyl]oxy]acetic acid ethyl ester Formula: C31H36N4O5 MolecularWeight: 544.64134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1CCN(CC1)C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)C#N)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)COC1CCN(CC1)C(=O)C2=C(N(N(C2=O)C3=CC=C(C=C3)C#N)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H36N4O5/c1-6-39-26(36)20-40-25-15-17-34(18-16-25)29(37)27-28(22-9-11-23(12-10-22)31(2,3)4)33(5)35(30(27)38)24-13-7-21(19-32)8-14-24/h7-14,25H,6,15-18,20H2,1-5H3