cyclopentane; 1,5-dimethyl-2-phenyl-4-[(phenylmethylidene)amino]pyrazol-3-one; titanium(2+); trichloride

Systemtic Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-[(phenylmethylidene)amino]pyrazol-3-one; titanium(2+); trichloride Openeye Name: 4-(benzylideneamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one; cyclopentane; titanium(2+); trichloride CAS Name: cyclopentane; 1,5-dimethyl-2-phenyl-4-[(phenylmethylene)amino]-3-pyrazolone; titanium(2+); trichloride IUPAC Name: 4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one; cyclopentane; titanium(2+); trichloride Traditional Name: 4-(benzalamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; cyclopentane; titanium(2+); trichloride Formula: C23H22Cl3N3OTi- MolecularWeight: 510.66628

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H17N3O.C5H5.3ClH.Ti/c1-14-17(19-13-15-9-5-3-6-10-15)18(22)21(20(14)2)16-11-7-4-8-12-16;1-2-4-5-3-1;;;;/h3-13H,1-2H3;1-5H;3*1H;/q;;;;;+2/p-3