1-[1,3-benzodioxol-5-yl-(5-bromanylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-bromanylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-bromothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-bromo-2-thienyl)methyl]-1,4-diazepane Formula: C17H19BrN2O2S MolecularWeight: 395.31396

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=C(S4)Br

InChI

InChI=1S/C17H19BrN2O2S/c18-16-5-4-15(23-16)17(20-8-1-6-19-7-9-20)12-2-3-13-14(10-12)22-11-21-13/h2-5,10,17,19H,1,6-9,11H2