1-[1,3-benzodioxol-5-yl-(5-fluoranyl-2-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-fluoranyl-2-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C20H23FN2O3 MolecularWeight: 358.406623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C20H23FN2O3/c1-24-17-6-4-15(21)12-16(17)20(23-9-2-7-22-8-10-23)14-3-5-18-19(11-14)26-13-25-18/h3-6,11-12,20,22H,2,7-10,13H2,1H3