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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(thiophen-3-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl(thiophen-3-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(3-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=CSC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CSC=C4

InChI

InChI=1S/C17H20N2O2S/c1-5-18-6-8-19(7-1)17(14-4-9-22-11-14)13-2-3-15-16(10-13)21-12-20-15/h2-4,9-11,17-18H,1,5-8,12H2