1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]octane-1,7-dione

Systemtic Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]octane-1,7-dione Openeye Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]octane-1,7-dione CAS Name: 1-[4-[[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]octane-1,7-dione IUPAC Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]octane-1,7-dione Traditional Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazino]octane-1,7-dione Formula: C34H44N4O3 MolecularWeight: 556.73816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CCCCCC(=O)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CCCCCC(=O)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C34H44N4O3/c1-6-26-13-10-11-14-30(26)38-31(27-16-18-28(19-17-27)34(3,4)5)24-29(35-38)33(41)37-22-20-36(21-23-37)32(40)15-9-7-8-12-25(2)39/h10-11,13-14,16-19,24H,6-9,12,15,20-23H2,1-5H3