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

Systemtic Name: tert-butyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-(4-fluorophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-(4-fluorophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H42FN5O3 MolecularWeight: 539.684583

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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)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C30H42FN5O3/c1-30(2,3)39-29(38)35-15-13-22(14-16-35)27-26(21-32-36(27)25-11-9-23(31)10-12-25)28(37)34-19-17-33(18-20-34)24-7-5-4-6-8-24/h9-12,21-22,24H,4-8,13-20H2,1-3H3