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

Systemtic Name: tert-butyl 4-[4-[5-(3-acetamidophenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[5-(3-acetamidophenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 4-[[4-[[5-(3-acetamidophenyl)-1-(2-ethylphenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[5-(3-acetamidophenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 4-[4-[5-(3-acetamidophenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C35H44N6O5 MolecularWeight: 628.76106

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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(=CC=C5)NC(=O)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(=CC=C5)NC(=O)C

InChI

InChI=1S/C35H44N6O5/c1-6-25-10-7-8-13-30(25)41-31(27-11-9-12-28(22-27)36-24(2)42)23-29(37-41)33(44)39-20-18-38(19-21-39)32(43)26-14-16-40(17-15-26)34(45)46-35(3,4)5/h7-13,22-23,26H,6,14-21H2,1-5H3,(H,36,42)