ethyl 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-2-cyano-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-2-cyano-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-2-cyano-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[[1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-2-cyanophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-cyanophenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[1-(4-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-2-cyano-phenyl]isonipecotic acid ethyl ester Formula: C26H26ClN5O3 MolecularWeight: 491.96934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)Cl)C)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)Cl)C)C#N

InChI

InChI=1S/C26H26ClN5O3/c1-3-35-26(34)18-10-12-31(13-11-18)24-9-6-21(14-19(24)15-28)30-25(33)23-16-29-32(17(23)2)22-7-4-20(27)5-8-22/h4-9,14,16,18H,3,10-13H2,1-2H3,(H,30,33)