3-(1-methylbenzimidazol-2-yl)isoquinoline; ruthenium

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)isoquinoline; ruthenium Openeye Name: 3-(1-methylbenzimidazol-2-yl)isoquinoline; ruthenium CAS Name: 3-(1-methyl-2-benzimidazolyl)isoquinoline; ruthenium IUPAC Name: 3-(1-methylbenzimidazol-2-yl)isoquinoline; ruthenium Traditional Name: 3-(1-methylbenzimidazol-2-yl)isoquinoline; ruthenium Formula: C51H39N9Ru MolecularWeight: 878.98566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=N3.CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=N3.CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=N3.[Ru]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=N3.CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=N3.CN1C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=N3.[Ru]

InChI

InChI=1S/3C17H13N3.Ru/c3*1-20-16-9-5-4-8-14(16)19-17(20)15-10-12-6-2-3-7-13(12)11-18-15;/h3*2-11H,1H3;