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

Systemtic Name: 3-bromanyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-N-pentyl-benzamide Openeye Name: 3-bromo-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-N-pentyl-benzamide CAS Name: 3-bromo-N-[2-[[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-N-pentylbenzamide IUPAC Name: 3-bromo-N-[2-[[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-N-pentylbenzamide Traditional Name: N-amyl-3-bromo-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]benzamide Formula: C29H28BrFN4O2 MolecularWeight: 563.460623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C29H28BrFN4O2/c1-2-3-7-17-34(29(37)22-11-8-12-23(30)18-22)20-28(36)32-27-19-26(21-9-5-4-6-10-21)33-35(27)25-15-13-24(31)14-16-25/h4-6,8-16,18-19H,2-3,7,17,20H2,1H3,(H,32,36)