3-(2,6-dimethylcyclopenta[b]pyrrol-4-yl)quinoline; zirconium(2+); dichloride

Systemtic Name: 3-(2,6-dimethylcyclopenta[b]pyrrol-4-yl)quinoline; zirconium(2+); dichloride Openeye Name: 3-(2,6-dimethylcyclopenta[b]pyrrol-4-yl)quinoline; zirconium(2+); dichloride CAS Name: 3-(2,6-dimethyl-4-cyclopenta[b]pyrrolyl)quinoline; zirconium(2+); dichloride IUPAC Name: 3-(2,6-dimethylcyclopenta[b]pyrrol-4-yl)quinoline; zirconium(2+); dichloride Traditional Name: 3-(2,6-dimethylcyclopenta[b]pyrrol-4-yl)quinoline; zirconium(2+); dichloride Formula: C36H28Cl2N4Zr MolecularWeight: 678.76432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C1=NC(=C2)C)C3=CC4=CC=CC=C4N=C3.CC1=CC(=C2C1=NC(=C2)C)C3=CC4=CC=CC=C4N=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC1=CC(=C2C1=NC(=C2)C)C3=CC4=CC=CC=C4N=C3.CC1=CC(=C2C1=NC(=C2)C)C3=CC4=CC=CC=C4N=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C18H14N2.2ClH.Zr/c2*1-11-7-15(16-8-12(2)20-18(11)16)14-9-13-5-3-4-6-17(13)19-10-14;;;/h2*3-10H,1-2H3;2*1H;/q;;;;+2/p-2