N-ethylethanamine; N-[3-methyl-5-oxidanylidene-4-phenylazanyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-4-yl]ethanamide

Systemtic Name: N-ethylethanamine; N-[3-methyl-5-oxidanylidene-4-phenylazanyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazol-4-yl]ethanamide Openeye Name: N-[4-anilino-3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]acetamide; N-ethylethanamine CAS Name: N-[4-anilino-3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-4-pyrazolyl]acetamide; N-ethylethanamine IUPAC Name: N-[4-anilino-3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]acetamide; N-ethylethanamine Traditional Name: N-[4-anilino-5-keto-3-methyl-1-(2,4,6-trichlorophenyl)-2-pyrazolin-4-yl]acetamide; diethylamine Formula: C22H26Cl3N5O2 MolecularWeight: 498.83314

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=NN(C(=O)C1(NC2=CC=CC=C2)NC(=O)C)C3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

CCNCC.CC1=NN(C(=O)C1(NC2=CC=CC=C2)NC(=O)C)C3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C18H15Cl3N4O2.C4H11N/c1-10-18(22-11(2)26,23-13-6-4-3-5-7-13)17(27)25(24-10)16-14(20)8-12(19)9-15(16)21;1-3-5-4-2/h3-9,23H,1-2H3,(H,22,26);5H,3-4H2,1-2H3