tert-butyl 4-[2-cyano-4-[[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-cyano-4-[[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-cyano-4-[[1-(4-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-cyano-4-[[[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-cyano-4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-cyano-4-[[1-(4-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H29FN6O3 MolecularWeight: 504.555963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C27H29FN6O3/c1-18-23(17-30-34(18)22-8-5-20(28)6-9-22)25(35)31-21-7-10-24(19(15-21)16-29)32-11-13-33(14-12-32)26(36)37-27(2,3)4/h5-10,15,17H,11-14H2,1-4H3,(H,31,35)