(2,6-dimethylpiperidin-1-yl)-(1-oxidanylidene-1-phenyl-2-pyridin-2-yl-propan-2-yl)azanide; methanidylbenzene; zirconium

Systemtic Name: (2,6-dimethylpiperidin-1-yl)-(1-oxidanylidene-1-phenyl-2-pyridin-2-yl-propan-2-yl)azanide; methanidylbenzene; zirconium Openeye Name: (2,6-dimethyl-1-piperidyl)-[1-methyl-2-oxo-2-phenyl-1-(2-pyridyl)ethyl]azanide; methanidylbenzene; zirconium CAS Name: (2,6-dimethyl-1-piperidinyl)-[1-oxo-1-phenyl-2-(2-pyridinyl)propan-2-yl]azanide; methanidylbenzene; zirconium IUPAC Name: (2,6-dimethylpiperidin-1-yl)-(1-oxo-1-phenyl-2-pyridin-2-ylpropan-2-yl)azanide; methanidylbenzene; zirconium Traditional Name: (2,6-dimethylpiperidino)-[2-keto-1-methyl-2-phenyl-1-(2-pyridyl)ethyl]azanide; methanidylbenzene; zirconium Formula: C42H47N3OZr-4 MolecularWeight: 701.06608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1[N-]C(C)(C2=CC=CC=N2)C(=O)C3=CC=CC=C3)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

Isomeric SMILES

CC1CCCC(N1[N-]C(C)(C2=CC=CC=N2)C(=O)C3=CC=CC=C3)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr]

InChI

InChI=1S/C21H26N3O.3C7H7.Zr/c1-16-10-9-11-17(2)24(16)23-21(3,19-14-7-8-15-22-19)20(25)18-12-5-4-6-13-18;3*1-7-5-3-2-4-6-7;/h4-8,12-17H,9-11H2,1-3H3;3*2-6H,1H2;/q4*-1;