(E)-3-(3-azanyl-4-fluoranyl-phenyl)-1-(azepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-azanyl-4-fluoranyl-phenyl)-1-(azepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-amino-4-fluoro-phenyl)-1-(azepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-amino-4-fluorophenyl)-1-(1-azepanyl)-2-propen-1-one IUPAC Name: (E)-3-(3-amino-4-fluorophenyl)-1-(azepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-amino-4-fluoro-phenyl)-1-(azepan-1-yl)prop-2-en-1-one Formula: C15H19FN2O MolecularWeight: 262.322563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC(=C(C=C2)F)N

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)F)N

InChI

InChI=1S/C15H19FN2O/c16-13-7-5-12(11-14(13)17)6-8-15(19)18-9-3-1-2-4-10-18/h5-8,11H,1-4,9-10,17H2/b8-6+