(2,5-dimethylpyrrol-1-yl)-(1-phenyl-2-pyridin-2-yl-propan-2-yl)azanide; methanidylbenzene; zirconium

Systemtic Name: (2,5-dimethylpyrrol-1-yl)-(1-phenyl-2-pyridin-2-yl-propan-2-yl)azanide; methanidylbenzene; zirconium Openeye Name: (2,5-dimethylpyrrol-1-yl)-[1-methyl-2-phenyl-1-(2-pyridyl)ethyl]azanide; methanidylbenzene; zirconium CAS Name: (2,5-dimethyl-1-pyrrolyl)-[1-phenyl-2-(2-pyridinyl)propan-2-yl]azanide; methanidylbenzene; zirconium IUPAC Name: (2,5-dimethylpyrrol-1-yl)-(1-phenyl-2-pyridin-2-ylpropan-2-yl)azanide; methanidylbenzene; zirconium Traditional Name: (2,5-dimethylpyrrol-1-yl)-[1-methyl-2-phenyl-1-(2-pyridyl)ethyl]azanide; methanidylbenzene; zirconium Formula: C41H43N3Zr-4 MolecularWeight: 669.02422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1[N-]C(C)(CC2=CC=CC=C2)C3=CC=CC=N3)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CC1=CC=C(N1[N-]C(C)(CC2=CC=CC=C2)C3=CC=CC=N3)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/C20H22N3.3C7H7.Zr/c1-16-12-13-17(2)23(16)22-20(3,19-11-7-8-14-21-19)15-18-9-5-4-6-10-18;3*1-7-5-3-2-4-6-7;/h4-14H,15H2,1-3H3;3*2-6H,1H2;/q4*-1;