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

Systemtic Name: carbanide; 2-isoquinolin-3-ylpropan-2-yl-(2-methyl-6-propan-2-yl-phenyl)azanide; zirconium Openeye Name: carbanide; (2-isopropyl-6-methyl-phenyl)-[1-(3-isoquinolyl)-1-methyl-ethyl]azanide; zirconium CAS Name: carbanide; 2-(3-isoquinolinyl)propan-2-yl-(2-methyl-6-propan-2-ylphenyl)azanide; zirconium IUPAC Name: carbanide; 2-isoquinolin-3-ylpropan-2-yl-(2-methyl-6-propan-2-ylphenyl)azanide; zirconium Traditional Name: carbanide; (2-isopropyl-6-methyl-phenyl)-[1-(3-isoquinolyl)-1-methyl-ethyl]azanide; zirconium Formula: C25H34N2Zr-4 MolecularWeight: 453.77486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H25N2.3CH3.Zr/c1-15(2)19-12-8-9-16(3)21(19)24-22(4,5)20-13-17-10-6-7-11-18(17)14-23-20;;;;/h6-15H,1-5H3;3*1H3;/q4*-1;