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

Systemtic Name: tert-butyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-phenylpyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H43N5O3 MolecularWeight: 521.69412

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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)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C30H43N5O3/c1-30(2,3)38-29(37)34-16-14-23(15-17-34)27-26(22-31-35(27)25-12-8-5-9-13-25)28(36)33-20-18-32(19-21-33)24-10-6-4-7-11-24/h5,8-9,12-13,22-24H,4,6-7,10-11,14-21H2,1-3H3