1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3-fluoro-4-methoxy-benzyl)-1,4-diazepane Formula: C13H19FN2O MolecularWeight: 238.301163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCNCC2)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCNCC2)F

InChI

InChI=1S/C13H19FN2O/c1-17-13-4-3-11(9-12(13)14)10-16-7-2-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3