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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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