1,4-diazepan-1-yl(phenyl)methanone hydrochloride

Systemtic Name: 1,4-diazepan-1-yl(phenyl)methanone hydrochloride Openeye Name: 1,4-diazepan-1-yl(phenyl)methanone hydrochloride CAS Name: 1,4-diazepan-1-yl(phenyl)methanone hydrochloride IUPAC Name: 1,4-diazepan-1-yl(phenyl)methanone hydrochloride Traditional Name: 1,4-diazepan-1-yl(phenyl)methanone hydrochloride Formula: C12H17ClN2O MolecularWeight: 240.72918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C12H16N2O.ClH/c15-12(11-5-2-1-3-6-11)14-9-4-7-13-8-10-14;/h1-3,5-6,13H,4,7-10H2;1H