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

Systemtic Name: 7-ethoxy-6-hexyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-ethoxy-6-hexyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-ethoxy-6-hexyl-3-(1-phenyl-4-pyrazolyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-ethoxy-6-hexyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-ethoxy-6-hexyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromone Formula: C27H27F3N2O3 MolecularWeight: 484.51009

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H27F3N2O3/c1-3-5-6-8-11-18-14-21-23(15-22(18)34-4-2)35-26(27(28,29)30)24(25(21)33)19-16-31-32(17-19)20-12-9-7-10-13-20/h7,9-10,12-17H,3-6,8,11H2,1-2H3