N-(3,4-dimethoxyphenyl)-6-pyridin-2-yl-pyridine-3-carboxamide; ruthenium(2+); dihexafluorophosphate

Systemtic Name: N-(3,4-dimethoxyphenyl)-6-pyridin-2-yl-pyridine-3-carboxamide; ruthenium(2+); dihexafluorophosphate Openeye Name: N-(3,4-dimethoxyphenyl)-6-(2-pyridyl)pyridine-3-carboxamide; ruthenium(2+); dihexafluorophosphate CAS Name: N-(3,4-dimethoxyphenyl)-6-(2-pyridinyl)-3-pyridinecarboxamide; ruthenium(2+); dihexafluorophosphate IUPAC Name: N-(3,4-dimethoxyphenyl)-6-pyridin-2-ylpyridine-3-carboxamide; ruthenium(2+); dihexafluorophosphate Traditional Name: N-(3,4-dimethoxyphenyl)-6-(2-pyridyl)nicotinamide; ruthenium(2+); dihexafluorophosphate Formula: C57H51F12N9O9P2Ru MolecularWeight: 1397.0681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=N3)OC.COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=N3)OC.COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=N3)OC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=N3)OC.COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=N3)OC.COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=C2)C3=CC=CC=N3)OC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/3C19H17N3O3.2F6P.Ru/c3*1-24-17-9-7-14(11-18(17)25-2)22-19(23)13-6-8-16(21-12-13)15-5-3-4-10-20-15;2*1-7(2,3,4,5)6;/h3*3-12H,1-2H3,(H,22,23);;;/q;;;2*-1;+2