1-(azepan-1-yl)-2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]ethanone hydrochloride

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]ethanone hydrochloride Openeye Name: 1-(azepan-1-yl)-2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]ethanone hydrochloride CAS Name: 1-(1-azepanyl)-2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]ethanone hydrochloride IUPAC Name: 1-(azepan-1-yl)-2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone hydrochloride Traditional Name: 1-(azepan-1-yl)-2-[4-(benzofuran-2-carbonyl)piperazino]ethanone hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c25-20(23-9-5-1-2-6-10-23)16-22-11-13-24(14-12-22)21(26)19-15-17-7-3-4-8-18(17)27-19;/h3-4,7-8,15H,1-2,5-6,9-14,16H2;1H