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

Systemtic Name: 1-prop-1-ynyl-4-pyridin-3-yl-1,4-diazepane Openeye Name: 1-prop-1-ynyl-4-(3-pyridyl)-1,4-diazepane CAS Name: 1-prop-1-ynyl-4-(3-pyridinyl)-1,4-diazepane IUPAC Name: 1-prop-1-ynyl-4-pyridin-3-yl-1,4-diazepane Traditional Name: 1-prop-1-ynyl-4-(3-pyridyl)-1,4-diazepane Formula: C13H17N3 MolecularWeight: 215.29418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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