tert-butyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-fluorobenzyl)carbamoyl]-2-phenyl-pyrazol-3-yl]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)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

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