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

Systemtic Name: ethyl 5-[4-[4-(2-chloranylpyridin-3-yl)carbonylpiperazin-1-yl]phenyl]-1-pyridin-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[4-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-(2-pyridyl)pyrazole-3-carboxylate CAS Name: 5-[4-[4-[(2-chloro-3-pyridinyl)-oxomethyl]-1-piperazinyl]phenyl]-1-(2-pyridinyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate Traditional Name: 5-[4-[4-(2-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=C(N=CC=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

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

InChI

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