6-ethyl-7-oxidanyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methyl]coumarin Formula: C23H24F3N3O3 MolecularWeight: 447.45017

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F)O

InChI

InChI=1S/C23H24F3N3O3/c1-2-15-10-18-16(11-22(31)32-20(18)12-19(15)30)14-28-6-3-7-29(9-8-28)21-5-4-17(13-27-21)23(24,25)26/h4-5,10-13,30H,2-3,6-9,14H2,1H3