1-(azepan-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-nitro-8-quinolyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(5-nitro-8-quinolinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-nitro-8-quinolyl)piperazino]ethanone Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C21H27N5O3/c27-20(25-10-3-1-2-4-11-25)16-23-12-14-24(15-13-23)19-8-7-18(26(28)29)17-6-5-9-22-21(17)19/h5-9H,1-4,10-16H2