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

Systemtic Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-pentyl-benzamide Openeye Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-4-pentyl-benzamide CAS Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-pentylbenzamide IUPAC Name: N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-butyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]benzamide Formula: C33H37FN4O2 MolecularWeight: 540.670883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCCC)CC(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=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/C33H37FN4O2/c1-3-5-8-11-25-14-16-27(17-15-25)33(40)37(22-6-4-2)24-32(39)35-31-23-30(26-12-9-7-10-13-26)36-38(31)29-20-18-28(34)19-21-29/h7,9-10,12-21,23H,3-6,8,11,22,24H2,1-2H3,(H,35,39)