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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(5-ethylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(5-ethyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C20H25N3O2/c1-2-15-4-6-17(22-13-15)20(23-10-3-8-21-9-11-23)16-5-7-18-19(12-16)25-14-24-18/h4-7,12-13,20-21H,2-3,8-11,14H2,1H3