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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(2-pyridyl)methyl]-1,4-diazepane Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=N4

InChI

InChI=1S/C18H21N3O2/c1-2-8-20-15(4-1)18(21-10-3-7-19-9-11-21)14-5-6-16-17(12-14)23-13-22-16/h1-2,4-6,8,12,18-19H,3,7,9-11,13H2