7-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 7-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-4-(trifluoromethyl)chromen-2-one Openeye Name: 7-[2-(azepan-1-yl)-2-oxo-ethoxy]-4-(trifluoromethyl)chromen-2-one CAS Name: 7-[2-(1-azepanyl)-2-oxoethoxy]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 7-[2-(azepan-1-yl)-2-oxoethoxy]-4-(trifluoromethyl)chromen-2-one Traditional Name: 7-[2-(azepan-1-yl)-2-keto-ethoxy]-4-(trifluoromethyl)coumarin Formula: C18H18F3NO4 MolecularWeight: 369.33503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H18F3NO4/c19-18(20,21)14-10-17(24)26-15-9-12(5-6-13(14)15)25-11-16(23)22-7-3-1-2-4-8-22/h5-6,9-10H,1-4,7-8,11H2