tert-butyl 4-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-[[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C37H49N5O4 MolecularWeight: 627.81606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4CCN(CC4)C(=O)OC(C)(C)C)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4CCN(CC4)C(=O)OC(C)(C)C)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C37H49N5O4/c1-8-26-11-9-10-12-31(26)42-32(27-13-15-29(16-14-27)36(2,3)4)25-30(38-42)34(44)40-23-21-39(22-24-40)33(43)28-17-19-41(20-18-28)35(45)46-37(5,6)7/h9-16,25,28H,8,17-24H2,1-7H3