1,5-dimethyl-2-phenyl-4-(pyridin-2-ylmethylideneamino)pyrazol-3-one; nickel(2+); perchlorate

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(pyridin-2-ylmethylideneamino)pyrazol-3-one; nickel(2+); perchlorate Openeye Name: nickelous 1,5-dimethyl-2-phenyl-4-(2-pyridylmethyleneamino)pyrazol-3-one perchlorate CAS Name: 1,5-dimethyl-2-phenyl-4-(2-pyridinylmethylideneamino)-3-pyrazolone; nickel(2+); perchlorate IUPAC Name: 1,5-dimethyl-2-phenyl-4-(pyridin-2-ylmethylideneamino)pyrazol-3-one; nickel(2+); perchlorate Traditional Name: nickelous 1,5-dimethyl-2-phenyl-4-(2-pyridylmethyleneamino)-3-pyrazolin-3-one perchlorate Formula: C34H32ClN8NiO6+ MolecularWeight: 742.81428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=N3.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[Ni+2]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=N3.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=N3.[O-]Cl(=O)(=O)=O.[Ni+2]

InChI

InChI=1S/2C17H16N4O.ClHO4.Ni/c2*1-13-16(19-12-14-8-6-7-11-18-14)17(22)21(20(13)2)15-9-4-3-5-10-15;2-1(3,4)5;/h2*3-12H,1-2H3;(H,2,3,4,5);/q;;;+2/p-1