[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C20H17BrFNO5 MolecularWeight: 450.255083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C=CC2=CC=C(O2)Br)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)/C=C/C2=CC=C(O2)Br)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17BrFNO5/c21-17-10-8-15(27-17)9-11-18(24)28-16-3-1-2-12-23(20(16)26)19(25)13-4-6-14(22)7-5-13/h4-11,16H,1-3,12H2/b11-9+