1-(6-iodanyl-5-prop-1-ynyl-pyridin-3-yl)-1,4-diazepane

Systemtic Name: 1-(6-iodanyl-5-prop-1-ynyl-pyridin-3-yl)-1,4-diazepane Openeye Name: 1-(6-iodo-5-prop-1-ynyl-3-pyridyl)-1,4-diazepane CAS Name: 1-(6-iodo-5-prop-1-ynyl-3-pyridinyl)-1,4-diazepane IUPAC Name: 1-(6-iodo-5-prop-1-ynylpyridin-3-yl)-1,4-diazepane Traditional Name: 1-(6-iodo-5-prop-1-ynyl-3-pyridyl)-1,4-diazepane Formula: C13H16IN3 MolecularWeight: 341.19071

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CN=C1I)N2CCCNCC2

Isomeric SMILES

CC#CC1=CC(=CN=C1I)N2CCCNCC2

InChI

InChI=1S/C13H16IN3/c1-2-4-11-9-12(10-16-13(11)14)17-7-3-5-15-6-8-17/h9-10,15H,3,5-8H2,1H3