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

Systemtic Name: [4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]-thiophen-3-yl-methanone Openeye Name: [4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]-(3-thienyl)methanone CAS Name: [4-[[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]-(3-thiophenyl)methanone IUPAC Name: [4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone Traditional Name: [4-[5-(4-tert-butylphenyl)-1-(2-ethylphenyl)pyrazole-3-carbonyl]piperazino]-(3-thienyl)methanone Formula: C31H34N4O2S MolecularWeight: 526.69226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4=CSC=C4)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=CC(=N2)C(=O)N3CCN(CC3)C(=O)C4=CSC=C4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C31H34N4O2S/c1-5-22-8-6-7-9-27(22)35-28(23-10-12-25(13-11-23)31(2,3)4)20-26(32-35)30(37)34-17-15-33(16-18-34)29(36)24-14-19-38-21-24/h6-14,19-21H,5,15-18H2,1-4H3