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

Systemtic Name: 3-[3-azanylpropyl-(2-fluorophenyl)amino]azepan-2-one Openeye Name: 3-[N-(3-aminopropyl)-2-fluoro-anilino]azepan-2-one CAS Name: 3-[N-(3-aminopropyl)-2-fluoroanilino]-2-azepanone IUPAC Name: 3-[N-(3-aminopropyl)-2-fluoroanilino]azepan-2-one Traditional Name: 3-[N-(3-aminopropyl)-2-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=C2F

Isomeric SMILES

C1CCNC(=O)C(C1)N(CCCN)C2=CC=CC=C2F

InChI

InChI=1S/C15H22FN3O/c16-12-6-1-2-7-13(12)19(11-5-9-17)14-8-3-4-10-18-15(14)20/h1-2,6-7,14H,3-5,8-11,17H2,(H,18,20)