carbanide; [2,6-di(propan-2-yl)phenyl]-(2-isoquinolin-3-ylpropan-2-yl)azanide; zirconium

Systemtic Name: carbanide; [2,6-di(propan-2-yl)phenyl]-(2-isoquinolin-3-ylpropan-2-yl)azanide; zirconium Openeye Name: carbanide; (2,6-diisopropylphenyl)-[1-(3-isoquinolyl)-1-methyl-ethyl]azanide; zirconium CAS Name: carbanide; [2,6-di(propan-2-yl)phenyl]-[2-(3-isoquinolinyl)propan-2-yl]azanide; zirconium IUPAC Name: carbanide; [2,6-di(propan-2-yl)phenyl]-(2-isoquinolin-3-ylpropan-2-yl)azanide; zirconium Traditional Name: carbanide; (2,6-diisopropylphenyl)-[1-(3-isoquinolyl)-1-methyl-ethyl]azanide; zirconium Formula: C27H38N2Zr-4 MolecularWeight: 481.82802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N2.3CH3.Zr/c1-16(2)20-12-9-13-21(17(3)4)23(20)26-24(5,6)22-14-18-10-7-8-11-19(18)15-25-22;;;;/h7-17H,1-6H3;3*1H3;/q4*-1;