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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-2-pyridyl]-1,4-diazepane Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C2=NC=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O2/c1-6-18-7-9-20(8-1)17-5-3-14(11-19-17)13-2-4-15-16(10-13)22-12-21-15/h2-5,10-11,18H,1,6-9,12H2