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

Systemtic Name: 1-(6-bromanyl-5-pent-1-ynyl-pyridin-3-yl)-1,4-diazepane Openeye Name: 1-(6-bromo-5-pent-1-ynyl-3-pyridyl)-1,4-diazepane CAS Name: 1-(6-bromo-5-pent-1-ynyl-3-pyridinyl)-1,4-diazepane IUPAC Name: 1-(6-bromo-5-pent-1-ynylpyridin-3-yl)-1,4-diazepane Traditional Name: 1-(6-bromo-5-pent-1-ynyl-3-pyridyl)-1,4-diazepane Formula: C15H20BrN3 MolecularWeight: 322.2434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3/c1-2-3-4-6-13-11-14(12-18-15(13)16)19-9-5-7-17-8-10-19/h11-12,17H,2-3,5,7-10H2,1H3