3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-6-hexyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-6-hexyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethyl-1-piperazinyl)methyl]-6-hexyl-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-1-yl)methyl]-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazino)methyl]-6-hexyl-7-hydroxy-2-(trifluoromethyl)chromone Formula: C31H39F3N2O4 MolecularWeight: 560.64757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN4CCN(CC4)CC)O

Isomeric SMILES

CCCCCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC(=CC(=C3)C)C)CN4CCN(CC4)CC)O

InChI

InChI=1S/C31H39F3N2O4/c1-5-7-8-9-10-22-18-24-27(38)29(39-23-16-20(3)15-21(4)17-23)30(31(32,33)34)40-28(24)25(26(22)37)19-36-13-11-35(6-2)12-14-36/h15-18,37H,5-14,19H2,1-4H3