ethyl 2-[2,2-dimethyl-3-oxidanylidene-3-[[5-oxidanylidene-3-pyrazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-4-yl]amino]propyl]-4-phenyl-hexanoate

Systemtic Name: ethyl 2-[2,2-dimethyl-3-oxidanylidene-3-[[5-oxidanylidene-3-pyrazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]-4H-pyrazol-4-yl]amino]propyl]-4-phenyl-hexanoate Openeye Name: ethyl 2-[2,2-dimethyl-3-oxo-3-[[5-oxo-3-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]amino]propyl]-4-phenyl-hexanoate CAS Name: 2-[2,2-dimethyl-3-oxo-3-[[5-oxo-3-(1-pyrazolyl)-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]amino]propyl]-4-phenylhexanoic acid ethyl ester IUPAC Name: ethyl 2-[2,2-dimethyl-3-oxo-3-[[5-oxo-3-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-4H-pyrazol-4-yl]amino]propyl]-4-phenylhexanoate Traditional Name: 2-[3-keto-3-[[5-keto-3-pyrazol-1-yl-1-(2,4,6-trichlorophenyl)-2-pyrazolin-4-yl]amino]-2,2-dimethyl-propyl]-4-phenyl-hexanoic acid ethyl ester Formula: C31H34Cl3N5O4 MolecularWeight: 646.99176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)(C)C(=O)NC1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)N3C=CC=N3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCC(CC(CC(C)(C)C(=O)NC1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)N3C=CC=N3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C31H34Cl3N5O4/c1-5-19(20-11-8-7-9-12-20)15-21(29(41)43-6-2)18-31(3,4)30(42)36-25-27(38-14-10-13-35-38)37-39(28(25)40)26-23(33)16-22(32)17-24(26)34/h7-14,16-17,19,21,25H,5-6,15,18H2,1-4H3,(H,36,42)