1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]-2-cyclopropyl-ethanone

Systemtic Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]-2-cyclopropyl-ethanone Openeye Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-cyclopropyl-ethanone CAS Name: 1-[4-[[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]-2-cyclopropylethanone IUPAC Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-cyclopropylethanone Traditional Name: 1-[4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazino]-2-cyclopropyl-ethanone Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CC4CC4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)CC4CC4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H38N4O2/c1-5-23-8-6-7-9-27(23)35-28(24-12-14-25(15-13-24)31(2,3)4)21-26(32-35)30(37)34-18-16-33(17-19-34)29(36)20-22-10-11-22/h6-9,12-15,21-22H,5,10-11,16-20H2,1-4H3