cyclopentane; 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)pyrazol-3-one; titanium(2+); trichloride

Systemtic Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)pyrazol-3-one; titanium(2+); trichloride Openeye Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-(4-pyridylmethyleneamino)pyrazol-3-one; titanium(2+); trichloride CAS Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)-3-pyrazolone; titanium(2+); trichloride IUPAC Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)pyrazol-3-one; titanium(2+); trichloride Traditional Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-(4-pyridylmethyleneamino)-3-pyrazolin-3-one; titanium(2+); trichloride Formula: C22H21Cl3N4OTi- MolecularWeight: 511.65434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=NC=C3.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=NC=C3.[CH]1[CH][CH][CH][CH]1.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C17H16N4O.C5H5.3ClH.Ti/c1-13-16(19-12-14-8-10-18-11-9-14)17(22)21(20(13)2)15-6-4-3-5-7-15;1-2-4-5-3-1;;;;/h3-12H,1-2H3;1-5H;3*1H;/q;;;;;+2/p-3