2-(1,4-diazepan-1-yl)cyclohepta-2,4,6-trien-1-one hydrochloride

Systemtic Name: 2-(1,4-diazepan-1-yl)cyclohepta-2,4,6-trien-1-one hydrochloride Openeye Name: 2-(1,4-diazepan-1-yl)cyclohepta-2,4,6-trien-1-one hydrochloride CAS Name: 2-(1,4-diazepan-1-yl)-1-cyclohepta-2,4,6-trienone hydrochloride IUPAC Name: 2-(1,4-diazepan-1-yl)cyclohepta-2,4,6-trien-1-one hydrochloride Traditional Name: 2-(1,4-diazepan-1-yl)cyclohepta-2,4,6-trien-1-one hydrochloride Formula: C12H17ClN2O MolecularWeight: 240.72918

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC=CC=CC2=O.Cl

Isomeric SMILES

C1CNCCN(C1)C2=CC=CC=CC2=O.Cl

InChI

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