3-[3-azanylpropyl-(4-fluorophenyl)amino]azepan-2-one

Systemtic Name: 3-[3-azanylpropyl-(4-fluorophenyl)amino]azepan-2-one Openeye Name: 3-[N-(3-aminopropyl)-4-fluoro-anilino]azepan-2-one CAS Name: 3-[N-(3-aminopropyl)-4-fluoroanilino]-2-azepanone IUPAC Name: 3-[N-(3-aminopropyl)-4-fluoroanilino]azepan-2-one Traditional Name: 3-[N-(3-aminopropyl)-4-fluoro-anilino]azepan-2-one Formula: C15H22FN3O MolecularWeight: 279.353083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CCCN)C2=CC=C(C=C2)F

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCCN)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H22FN3O/c16-12-5-7-13(8-6-12)19(11-3-9-17)14-4-1-2-10-18-15(14)20/h5-8,14H,1-4,9-11,17H2,(H,18,20)