N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-3,4,5-tris(chloranyl)benzamide; N-ethylethanamine

Systemtic Name: N-(4-acetamido-5-oxidanylidene-1-phenyl-4-phenylazanyl-pyrazol-3-yl)-3,4,5-tris(chloranyl)benzamide; N-ethylethanamine Openeye Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-pyrazol-3-yl)-3,4,5-trichloro-benzamide; N-ethylethanamine CAS Name: N-(4-acetamido-4-anilino-5-oxo-1-phenyl-3-pyrazolyl)-3,4,5-trichlorobenzamide; N-ethylethanamine IUPAC Name: N-(4-acetamido-4-anilino-5-oxo-1-phenylpyrazol-3-yl)-3,4,5-trichlorobenzamide; N-ethylethanamine Traditional Name: N-(4-acetamido-4-anilino-5-keto-1-phenyl-2-pyrazolin-3-yl)-3,4,5-trichloro-benzamide; diethylamine Formula: C28H29Cl3N6O3 MolecularWeight: 603.92726

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC(=O)NC1(C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)Cl)Cl)Cl)NC4=CC=CC=C4

Isomeric SMILES

CCNCC.CC(=O)NC1(C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)Cl)Cl)Cl)NC4=CC=CC=C4

InChI

InChI=1S/C24H18Cl3N5O3.C4H11N/c1-14(33)29-24(30-16-8-4-2-5-9-16)22(31-32(23(24)35)17-10-6-3-7-11-17)28-21(34)15-12-18(25)20(27)19(26)13-15;1-3-5-4-2/h2-13,30H,1H3,(H,29,33)(H,28,31,34);5H,3-4H2,1-2H3