ethyl 5-[4-[4-(6-methoxy-6-oxidanylidene-hexanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(6-methoxy-6-oxidanylidene-hexanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(6-methoxy-6-oxo-hexanoyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-(6-methoxy-1,6-dioxohexyl)-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(6-methoxy-6-oxohexanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-(6-keto-6-methoxy-hexanoyl)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)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CCCCC(=O)OC)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)CCCCC(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C28H33N5O5/c1-3-38-28(36)23-20-24(33(30-23)25-8-6-7-15-29-25)21-11-13-22(14-12-21)31-16-18-32(19-17-31)26(34)9-4-5-10-27(35)37-2/h6-8,11-15,20H,3-5,9-10,16-19H2,1-2H3