N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-hexyl-benzamide

Systemtic Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-hexyl-benzamide Openeye Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-4-hexyl-benzamide CAS Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-hexylbenzamide IUPAC Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-4-hexylbenzamide Traditional Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-4-hexyl-benzamide Formula: C34H39FN4O2 MolecularWeight: 554.697463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C34H39FN4O2/c1-3-5-7-9-12-26-15-17-28(18-16-26)34(41)38(23-6-4-2)25-33(40)36-32-24-31(27-13-10-8-11-14-27)37-39(32)30-21-19-29(35)20-22-30/h8,10-11,13-22,24H,3-7,9,12,23,25H2,1-2H3,(H,36,40)