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

Systemtic Name: 1-(1,4-diazepan-1-yl)-2-pyridin-2-yl-ethanone hydrochloride Openeye Name: 1-(1,4-diazepan-1-yl)-2-(2-pyridyl)ethanone hydrochloride CAS Name: 1-(1,4-diazepan-1-yl)-2-(2-pyridinyl)ethanone hydrochloride IUPAC Name: 1-(1,4-diazepan-1-yl)-2-pyridin-2-ylethanone hydrochloride Traditional Name: 1-(1,4-diazepan-1-yl)-2-(2-pyridyl)ethanone hydrochloride Formula: C12H18ClN3O MolecularWeight: 255.74382

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)CC2=CC=CC=N2.Cl

Isomeric SMILES

C1CNCCN(C1)C(=O)CC2=CC=CC=N2.Cl

InChI

InChI=1S/C12H17N3O.ClH/c16-12(10-11-4-1-2-6-14-11)15-8-3-5-13-7-9-15;/h1-2,4,6,13H,3,5,7-10H2;1H