2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-pyrazin-2-ylpiperazino)ethanone Formula: C19H21ClN4O3 MolecularWeight: 388.84804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)N3CCN(CC3)C4=NC=CN=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)N3CCN(CC3)C4=NC=CN=C4)Cl)OC1

InChI

InChI=1S/C19H21ClN4O3/c20-15-10-14(11-16-19(15)27-9-1-8-26-16)12-18(25)24-6-4-23(5-7-24)17-13-21-2-3-22-17/h2-3,10-11,13H,1,4-9,12H2