2-[[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]methyl]-5-[(4-fluorophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazino]methyl]-5-(4-fluorobenzyl)oxy-pyran-4-one Formula: C26H31FN4O4 MolecularWeight: 482.547143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H31FN4O4/c1-26(2,3)24-14-21(29(4)28-24)25(33)31-11-9-30(10-12-31)15-20-13-22(32)23(17-34-20)35-16-18-5-7-19(27)8-6-18/h5-8,13-14,17H,9-12,15-16H2,1-4H3