4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,3-tris(chloranyl)butane-1,1-diol

Systemtic Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,3-tris(chloranyl)butane-1,1-diol Openeye Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; 2,2,3-trichlorobutane-1,1-diol CAS Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone; 2,2,3-trichlorobutane-1,1-diol IUPAC Name: 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one; 2,2,3-trichlorobutane-1,1-diol Traditional Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 2,2,3-trichlorobutane-1,1-diol Formula: C17H24Cl3N3O3 MolecularWeight: 424.74976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC(C(C(O)O)(Cl)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.CC(C(C(O)O)(Cl)Cl)Cl

InChI

InChI=1S/C13H17N3O.C4H7Cl3O2/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2(5)4(6,7)3(8)9/h5-9H,1-4H3;2-3,8-9H,1H3