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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FN3O/c16-12-5-3-6-13(11-12)19(10-4-8-17)14-7-1-2-9-18-15(14)20/h3,5-6,11,14H,1-2,4,7-10,17H2,(H,18,20)