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

Systemtic Name: 4-chloranyl-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-N-pentyl-benzamide Openeye Name: 4-chloro-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: 4-chloro-N-[2-[[2-(4-fluorophenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: 4-chloro-N-[2-[[2-(4-fluorophenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-4-chloro-N-[2-[[2-(4-fluorophenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C29H27ClFN5O4 MolecularWeight: 564.007183

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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(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=CC(=NN1C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H27ClFN5O4/c1-2-3-7-16-34(29(38)21-10-15-24(30)26(17-21)36(39)40)19-28(37)32-27-18-25(20-8-5-4-6-9-20)33-35(27)23-13-11-22(31)12-14-23/h4-6,8-15,17-18H,2-3,7,16,19H2,1H3,(H,32,37)