2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]pyrazine

Systemtic Name: 2-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]pyrazine Openeye Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]pyrazine CAS Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-piperazinyl]pyrazine IUPAC Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazin-1-yl]pyrazine Traditional Name: 2-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazino]pyrazine Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)C4=NC=CN=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)C4=NC=CN=C4)Cl)OC1

InChI

InChI=1S/C18H21ClN4O2/c19-15-10-14(11-16-18(15)25-9-1-8-24-16)13-22-4-6-23(7-5-22)17-12-20-2-3-21-17/h2-3,10-12H,1,4-9,13H2