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

Systemtic Name: tert-butyl 4-[4-(furan-2-ylmethylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-furylmethylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-furanylmethylamino)-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(furan-2-ylmethylcarbamoyl)-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(2-furfurylcarbamoyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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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=CO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H30N4O4/c1-25(2,3)33-24(31)28-13-11-18(12-14-28)22-21(23(30)26-16-20-10-7-15-32-20)17-27-29(22)19-8-5-4-6-9-19/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,26,30)