N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide

Systemtic Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-3-fluoranyl-benzamide Openeye Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-oxo-ethyl]-3-fluoro-benzamide CAS Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-fluorobenzamide IUPAC Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl]amino]-2-oxoethyl]-3-fluorobenzamide Traditional Name: N-butyl-N-[2-[[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]amino]-2-keto-ethyl]-3-fluoro-benzamide Formula: C30H31FN4O2 MolecularWeight: 498.591143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31FN4O2/c1-4-5-16-34(30(37)24-12-9-13-25(31)18-24)20-29(36)32-28-19-26(23-10-7-6-8-11-23)33-35(28)27-15-14-21(2)17-22(27)3/h6-15,17-19H,4-5,16,20H2,1-3H3,(H,32,36)