6-hexyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-hexyl-7-oxidanyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-hexyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-hexyl-7-hydroxy-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-hexyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-hexyl-7-hydroxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromone Formula: C25H23F3N2O3 MolecularWeight: 456.45693

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CN(N=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H23F3N2O3/c1-2-3-4-6-9-16-12-19-21(13-20(16)31)33-24(25(26,27)28)22(23(19)32)17-14-29-30(15-17)18-10-7-5-8-11-18/h5,7-8,10-15,31H,2-4,6,9H2,1H3