tert-butyl 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31FN4O3 MolecularWeight: 478.558443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H31FN4O3/c1-27(2,3)35-26(34)31-15-13-20(14-16-31)25(33)29-17-21-18-32(23-7-5-4-6-8-23)30-24(21)19-9-11-22(28)12-10-19/h4-12,18,20H,13-17H2,1-3H3,(H,29,33)