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

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C22H19F2NO4 MolecularWeight: 399.387366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C=CC2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19F2NO4/c23-17-9-4-15(5-10-17)6-13-20(26)29-19-3-1-2-14-25(22(19)28)21(27)16-7-11-18(24)12-8-16/h4-13,19H,1-3,14H2/b13-6+