zinc 1,5-dimethyl-2-phenyl-4H-pyrazol-4-id-3-one

Systemtic Name: zinc 1,5-dimethyl-2-phenyl-4H-pyrazol-4-id-3-one Openeye Name: zinc 1,5-dimethyl-2-phenyl-4H-pyrazol-4-id-3-one CAS Name: zinc 1,5-dimethyl-2-phenyl-4H-pyrazol-4-id-3-one IUPAC Name: zinc 1,5-dimethyl-2-phenyl-4H-pyrazol-4-id-3-one Traditional Name: zinc 1,5-dimethyl-2-phenyl-3-pyrazolin-4-id-3-one Formula: C22H22N4O2Zn MolecularWeight: 439.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(=O)N(N1C)C2=CC=CC=C2.CC1=[C-]C(=O)N(N1C)C2=CC=CC=C2.[Zn+2]

Isomeric SMILES

CC1=[C-]C(=O)N(N1C)C2=CC=CC=C2.CC1=[C-]C(=O)N(N1C)C2=CC=CC=C2.[Zn+2]

InChI

InChI=1S/2C11H11N2O.Zn/c2*1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;/h2*3-7H,1-2H3;/q2*-1;+2