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

Systemtic Name: 1-(6-bromanyl-5-but-1-ynyl-pyridin-3-yl)-1,4-diazepane Openeye Name: 1-(6-bromo-5-but-1-ynyl-3-pyridyl)-1,4-diazepane CAS Name: 1-(6-bromo-5-but-1-ynyl-3-pyridinyl)-1,4-diazepane IUPAC Name: 1-(6-bromo-5-but-1-ynylpyridin-3-yl)-1,4-diazepane Traditional Name: 1-(6-bromo-5-but-1-ynyl-3-pyridyl)-1,4-diazepane Formula: C14H18BrN3 MolecularWeight: 308.21682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3/c1-2-3-5-12-10-13(11-17-14(12)15)18-8-4-6-16-7-9-18/h10-11,16H,2,4,6-9H2,1H3