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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CN1CCCN(CC1)C2=CN=CC=C2

Isomeric SMILES

CCCCC#CN1CCCN(CC1)C2=CN=CC=C2

InChI

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