(2-tert-butyl-6-methyl-phenyl)-(2-isoquinolin-3-ylpropan-2-yl)azanide; carbanide; zirconium

Systemtic Name: (2-tert-butyl-6-methyl-phenyl)-(2-isoquinolin-3-ylpropan-2-yl)azanide; carbanide; zirconium Openeye Name: (2-tert-butyl-6-methyl-phenyl)-[1-(3-isoquinolyl)-1-methyl-ethyl]azanide; carbanide; zirconium CAS Name: (2-tert-butyl-6-methylphenyl)-[2-(3-isoquinolinyl)propan-2-yl]azanide; carbanide; zirconium IUPAC Name: (2-tert-butyl-6-methylphenyl)-(2-isoquinolin-3-ylpropan-2-yl)azanide; carbanide; zirconium Traditional Name: (2-tert-butyl-6-methyl-phenyl)-[1-(3-isoquinolyl)-1-methyl-ethyl]azanide; carbanide; zirconium Formula: C26H36N2Zr-4 MolecularWeight: 467.80144

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].CC1=C(C(=CC=C1)C(C)(C)C)[N-]C(C)(C)C2=CC3=CC=CC=C3C=N2.[Zr]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].CC1=C(C(=CC=C1)C(C)(C)C)[N-]C(C)(C)C2=CC3=CC=CC=C3C=N2.[Zr]

InChI

InChI=1S/C23H27N2.3CH3.Zr/c1-16-10-9-13-19(22(2,3)4)21(16)25-23(5,6)20-14-17-11-7-8-12-18(17)15-24-20;;;;/h7-15H,1-6H3;3*1H3;/q4*-1;