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

Systemtic Name: 3-(3,5-dimethylphenoxy)-6-hexyl-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-6-hexyl-7-hydroxy-8-[(4-methylpiperazino)methyl]-2-(trifluoromethyl)chromone Formula: C30H37F3N2O4 MolecularWeight: 546.62099

Click to see the large picture

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)C)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)C)O

InChI

InChI=1S/C30H37F3N2O4/c1-5-6-7-8-9-21-17-23-26(37)28(38-22-15-19(2)14-20(3)16-22)29(30(31,32)33)39-27(23)24(25(21)36)18-35-12-10-34(4)11-13-35/h14-17,36H,5-13,18H2,1-4H3