1-(6-bromanyl-5-ethynyl-pyridin-3-yl)-1,4-diazepane

Systemtic Name: 1-(6-bromanyl-5-ethynyl-pyridin-3-yl)-1,4-diazepane Openeye Name: 1-(6-bromo-5-ethynyl-3-pyridyl)-1,4-diazepane CAS Name: 1-(6-bromo-5-ethynyl-3-pyridinyl)-1,4-diazepane IUPAC Name: 1-(6-bromo-5-ethynylpyridin-3-yl)-1,4-diazepane Traditional Name: 1-(6-bromo-5-ethynyl-3-pyridyl)-1,4-diazepane Formula: C12H14BrN3 MolecularWeight: 280.16366

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1Br)N2CCCNCC2

Isomeric SMILES

C#CC1=CC(=CN=C1Br)N2CCCNCC2

InChI

InChI=1S/C12H14BrN3/c1-2-10-8-11(9-15-12(10)13)16-6-3-4-14-5-7-16/h1,8-9,14H,3-7H2