1-(azepan-1-yl)-2-(4-quinoxalin-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-quinoxalin-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo(2-quinoxalinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(quinoxaline-2-carbonyl)piperazino]ethanone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H27N5O2/c27-20(25-9-5-1-2-6-10-25)16-24-11-13-26(14-12-24)21(28)19-15-22-17-7-3-4-8-18(17)23-19/h3-4,7-8,15H,1-2,5-6,9-14,16H2