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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl(pyridin-3-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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