ethyl 5-[4-[4-(5-ethoxy-5-oxidanylidene-pentanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(5-ethoxy-5-oxidanylidene-pentanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(5-ethoxy-5-oxo-pentanoyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-(5-ethoxy-1,5-dioxopentyl)-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(5-ethoxy-5-oxopentanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-(5-ethoxy-5-keto-pentanoyl)piperazino]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=NN3C4=CC=CC=N4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=NN3C4=CC=CC=N4)C(=O)OCC

InChI

InChI=1S/C28H33N5O5/c1-3-37-27(35)10-7-9-26(34)32-18-16-31(17-19-32)22-13-11-21(12-14-22)24-20-23(28(36)38-4-2)30-33(24)25-8-5-6-15-29-25/h5-6,8,11-15,20H,3-4,7,9-10,16-19H2,1-2H3