1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(1,3-dimethyl-4-pyrazolyl)pyrazole IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole Formula: C20H20ClFN6 MolecularWeight: 398.864403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC(=NN2CC3=C(C=C(C=C3)F)Cl)C4=CN(N=C4C)C)C

Isomeric SMILES

CC1=NN(C=C1C2=CC(=NN2CC3=C(C=C(C=C3)F)Cl)C4=CN(N=C4C)C)C

InChI

InChI=1S/C20H20ClFN6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(22)7-18(14)21/h5-8,10-11H,9H2,1-4H3