3-[(2,6-dimethylphenyl)amino]-1-phenyl-but-2-en-1-one; nickel

Systemtic Name: 3-[(2,6-dimethylphenyl)amino]-1-phenyl-but-2-en-1-one; nickel Openeye Name: 3-(2,6-dimethylanilino)-1-phenyl-but-2-en-1-one; nickel CAS Name: 3-(2,6-dimethylanilino)-1-phenyl-2-buten-1-one; nickel IUPAC Name: 3-(2,6-dimethylanilino)-1-phenylbut-2-en-1-one; nickel Traditional Name: 3-(2,6-dimethylanilino)-1-phenyl-but-2-en-1-one; nickel Formula: C36H38N2NiO2 MolecularWeight: 589.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=CC(=O)C2=CC=CC=C2)C.CC1=C(C(=CC=C1)C)NC(=CC(=O)C2=CC=CC=C2)C.[Ni]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=CC(=O)C2=CC=CC=C2)C.CC1=C(C(=CC=C1)C)NC(=CC(=O)C2=CC=CC=C2)C.[Ni]

InChI

InChI=1S/2C18H19NO.Ni/c2*1-13-8-7-9-14(2)18(13)19-15(3)12-17(20)16-10-5-4-6-11-16;/h2*4-12,19H,1-3H3;