ethyl 4-[[2-(4-ethoxyphenyl)-5-piperidin-4-yl-pyrazolo[1,5-a]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-ethoxyphenyl)-5-piperidin-4-yl-pyrazolo[1,5-a]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(4-ethoxyphenyl)-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-ethoxyphenyl)-5-(4-piperidinyl)-6-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 4-[[5-(4-piperidyl)-2-p-phenetyl-pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN3C=C(C(=NC3=C2)C4CCNCC4)C(=O)NC5=CC=C(C=C5)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN3C=C(C(=NC3=C2)C4CCNCC4)C(=O)NC5=CC=C(C=C5)C(=O)OCC

InChI

InChI=1S/C29H31N5O4/c1-3-37-23-11-7-19(8-12-23)25-17-26-32-27(20-13-15-30-16-14-20)24(18-34(26)33-25)28(35)31-22-9-5-21(6-10-22)29(36)38-4-2/h5-12,17-18,20,30H,3-4,13-16H2,1-2H3,(H,31,35)