nickel(2+); N-phenyl-2-[3-(phenylmethyl)imidazol-1-yl]ethanimidate

Systemtic Name: nickel(2+); N-phenyl-2-[3-(phenylmethyl)imidazol-1-yl]ethanimidate Openeye Name: nickelous 2-(3-benzylimidazol-1-yl)-N-phenyl-ethanimidate CAS Name: nickel(2+); N-phenyl-2-[3-(phenylmethyl)-1-imidazolyl]ethanimidate IUPAC Name: 2-(3-benzylimidazol-1-yl)-N-phenylethanimidate; nickel(2+) Traditional Name: nickelous 2-(3-benzylimidazol-1-yl)-N-phenyl-acetimidate Formula: C36H32N6NiO2 MolecularWeight: 639.37168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN([C]2)CC(=NC3=CC=CC=C3)[O-].C1=CC=C(C=C1)CN2C=CN([C]2)CC(=NC3=CC=CC=C3)[O-].[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN([C]2)CC(=NC3=CC=CC=C3)[O-].C1=CC=C(C=C1)CN2C=CN([C]2)CC(=NC3=CC=CC=C3)[O-].[Ni+2]

InChI

InChI=1S/2C18H17N3O.Ni/c2*22-18(19-17-9-5-2-6-10-17)14-21-12-11-20(15-21)13-16-7-3-1-4-8-16;/h2*1-12H,13-14H2,(H,19,22);/q;;+2/p-2