3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxidanylidene-4-pyrazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]benzamide

Systemtic Name: 3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxidanylidene-4-pyrazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-3-yl]benzamide Openeye Name: 3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide CAS Name: 3-[[2-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-N-[5-oxo-4-(1-pyrazolyl)-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide IUPAC Name: 3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-oxo-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide Traditional Name: 3-[2-(2,4-dimethylphenoxy)butanoylamino]-N-[5-keto-4-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]benzamide Formula: C31H27Cl3N6O4 MolecularWeight: 653.94288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2N3C=CC=N3)C4=C(C=C(C=C4Cl)Cl)Cl)OC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN(C(=O)C2N3C=CC=N3)C4=C(C=C(C=C4Cl)Cl)Cl)OC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C31H27Cl3N6O4/c1-4-24(44-25-10-9-17(2)13-18(25)3)30(42)36-21-8-5-7-19(14-21)29(41)37-28-27(39-12-6-11-35-39)31(43)40(38-28)26-22(33)15-20(32)16-23(26)34/h5-16,24,27H,4H2,1-3H3,(H,36,42)(H,37,38,41)