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

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-fluorophenyl)-4-[oxo-[(phenylmethyl)amino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)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=C(C=C3)F)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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