4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloranyl-cinnoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloranyl-cinnoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chloro-cinnoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-chlorocinnoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-chlorocinnoline Traditional Name: 8-chloro-4-(4-piperonylpiperazino)cinnoline Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CN=NC5=C4C=CC=C5Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CN=NC5=C4C=CC=C5Cl

InChI

InChI=1S/C20H19ClN4O2/c21-16-3-1-2-15-17(11-22-23-20(15)16)25-8-6-24(7-9-25)12-14-4-5-18-19(10-14)27-13-26-18/h1-5,10-11H,6-9,12-13H2