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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl(thiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(2-thienyl)methyl]-1,4-diazepane Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C17H20N2O2S/c1-3-16(22-10-1)17(19-8-2-6-18-7-9-19)13-4-5-14-15(11-13)21-12-20-14/h1,3-5,10-11,17-18H,2,6-9,12H2