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

Systemtic Name: tert-butyl 4-[2-(3-fluorophenyl)-4-piperidin-1-ylcarbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-fluorophenyl)-4-(piperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-fluorophenyl)-4-[oxo(1-piperidinyl)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-fluorophenyl)-4-(piperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-fluorophenyl)-4-(piperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33FN4O3 MolecularWeight: 456.552923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)N4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)N4CCCCC4

InChI

InChI=1S/C25H33FN4O3/c1-25(2,3)33-24(32)29-14-10-18(11-15-29)22-21(23(31)28-12-5-4-6-13-28)17-27-30(22)20-9-7-8-19(26)16-20/h7-9,16-18H,4-6,10-15H2,1-3H3