tert-butyl 4-[(3-fluoranyl-4-pyrazol-1-yl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-fluoranyl-4-pyrazol-1-yl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-fluoro-4-pyrazol-1-yl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-fluoro-4-(1-pyrazolyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(3-fluoro-4-pyrazol-1-yl-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25FN4O3 MolecularWeight: 388.435903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)N3C=CC=N3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)N3C=CC=N3)F

InChI

InChI=1S/C20H25FN4O3/c1-20(2,3)28-19(27)24-11-7-14(8-12-24)18(26)23-15-5-6-17(16(21)13-15)25-10-4-9-22-25/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,23,26)