1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]azepane

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]azepane Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]azepane CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]azepane IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]azepane Traditional Name: 1-(2-chloro-6-fluoro-benzyl)azepane Formula: C13H17ClFN MolecularWeight: 241.732183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C13H17ClFN/c14-12-6-5-7-13(15)11(12)10-16-8-3-1-2-4-9-16/h5-7H,1-4,8-10H2