1-(azepan-1-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]ethanone Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H29N3O4/c25-20(23-9-5-1-2-6-10-23)15-22-11-13-24(14-12-22)21(26)19-16-27-17-7-3-4-8-18(17)28-19/h3-4,7-8,19H,1-2,5-6,9-16H2