3-chloranyl-6-fluoranyl-2-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]chromen-4-one

Systemtic Name: 3-chloranyl-6-fluoranyl-2-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]chromen-4-one Openeye Name: 3-chloro-6-fluoro-2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]chromen-4-one CAS Name: 3-chloro-6-fluoro-2-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-1-benzopyran-4-one IUPAC Name: 3-chloro-6-fluoro-2-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]chromen-4-one Traditional Name: 3-chloro-6-fluoro-2-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]chromone Formula: C25H16ClFN2O2 MolecularWeight: 430.858143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)C4=C(O3)C=CC(=C4)F)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)C4=C(O3)C=CC(=C4)F)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H16ClFN2O2/c1-15-7-9-16(10-8-15)23-20(14-29(28-23)18-5-3-2-4-6-18)25-22(26)24(30)19-13-17(27)11-12-21(19)31-25/h2-14H,1H3