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

Systemtic Name: ethyl 5-[4-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-(6-chloronicotinoyl)piperazino]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylic acid ethyl ester Formula: C27H25ClN6O3 MolecularWeight: 516.9788

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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=CN=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN6O3/c1-2-37-27(36)22-17-23(34(31-22)25-5-3-4-12-29-25)19-6-9-21(10-7-19)32-13-15-33(16-14-32)26(35)20-8-11-24(28)30-18-20/h3-12,17-18H,2,13-16H2,1H3