5-hex-1-ynyl-1-pyridin-3-yl-1,4-diazepane

Systemtic Name: 5-hex-1-ynyl-1-pyridin-3-yl-1,4-diazepane Openeye Name: 5-hex-1-ynyl-1-(3-pyridyl)-1,4-diazepane CAS Name: 5-hex-1-ynyl-1-(3-pyridinyl)-1,4-diazepane IUPAC Name: 5-hex-1-ynyl-1-pyridin-3-yl-1,4-diazepane Traditional Name: 5-hex-1-ynyl-1-(3-pyridyl)-1,4-diazepane Formula: C16H23N3 MolecularWeight: 257.37392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CCN(CCN1)C2=CN=CC=C2

Isomeric SMILES

CCCCC#CC1CCN(CCN1)C2=CN=CC=C2

InChI

InChI=1S/C16H23N3/c1-2-3-4-5-7-15-9-12-19(13-11-18-15)16-8-6-10-17-14-16/h6,8,10,14-15,18H,2-4,9,11-13H2,1H3