ethyl 5-[4-[4-(2-chloranyl-6-methoxy-pyridin-4-yl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[4-[4-(2-chloranyl-6-methoxy-pyridin-4-yl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(2-chloro-6-methoxy-pyridine-4-carbonyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[(2-chloro-6-methoxy-4-pyridinyl)-oxomethyl]-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(2-chloro-6-methoxypyridine-4-carbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-(2-chloro-6-methoxy-isonicotinoyl)piperazino]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C28H27ClN6O4 MolecularWeight: 547.00478

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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)C4=CC(=NC(=C4)Cl)OC)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=NC(=C4)Cl)OC)C5=CC=CC=N5

InChI

InChI=1S/C28H27ClN6O4/c1-3-39-28(37)22-18-23(35(32-22)25-6-4-5-11-30-25)19-7-9-21(10-8-19)33-12-14-34(15-13-33)27(36)20-16-24(29)31-26(17-20)38-2/h4-11,16-18H,3,12-15H2,1-2H3