7-prop-1-ynyl-2-pyridin-2-yl-1,4-diazepane

Systemtic Name: 7-prop-1-ynyl-2-pyridin-2-yl-1,4-diazepane Openeye Name: 7-prop-1-ynyl-2-(2-pyridyl)-1,4-diazepane CAS Name: 7-prop-1-ynyl-2-(2-pyridinyl)-1,4-diazepane IUPAC Name: 7-prop-1-ynyl-2-pyridin-2-yl-1,4-diazepane Traditional Name: 7-prop-1-ynyl-2-(2-pyridyl)-1,4-diazepane Formula: C13H17N3 MolecularWeight: 215.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1CCNCC(N1)C2=CC=CC=N2

Isomeric SMILES

CC#CC1CCNCC(N1)C2=CC=CC=N2

InChI

InChI=1S/C13H17N3/c1-2-5-11-7-9-14-10-13(16-11)12-6-3-4-8-15-12/h3-4,6,8,11,13-14,16H,7,9-10H2,1H3