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

Systemtic Name: tert-butyl 4-[2-tert-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-tert-butyl-4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H40FN5O3 MolecularWeight: 513.647303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H40FN5O3/c1-27(2,3)34-24(20-11-13-33(14-12-20)26(36)37-28(4,5)6)21(19-30-34)25(35)32-17-15-31(16-18-32)23-10-8-7-9-22(23)29/h7-10,19-20H,11-18H2,1-6H3