1-(1,4-diazepan-1-yl)-2-pyridin-4-yl-ethanone

Systemtic Name: 1-(1,4-diazepan-1-yl)-2-pyridin-4-yl-ethanone Openeye Name: 1-(1,4-diazepan-1-yl)-2-(4-pyridyl)ethanone CAS Name: 1-(1,4-diazepan-1-yl)-2-pyridin-4-ylethanone IUPAC Name: 1-(1,4-diazepan-1-yl)-2-pyridin-4-ylethanone Traditional Name: 1-(1,4-diazepan-1-yl)-2-(4-pyridyl)ethanone Formula: C12H17N3O MolecularWeight: 219.28288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)CC2=CC=NC=C2

Isomeric SMILES

C1CNCCN(C1)C(=O)CC2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c16-12(10-11-2-5-14-6-3-11)15-8-1-4-13-7-9-15/h2-3,5-6,13H,1,4,7-10H2