2-(7-bromanylheptyl)-5-chloranyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(7-bromanylheptyl)-5-chloranyl-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(7-bromoheptyl)-5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(7-bromoheptyl)-5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(7-bromoheptyl)-5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(7-bromoheptyl)-5-chloro-4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]pyridazin-3-one Formula: C24H32BrClN4O3 MolecularWeight: 539.89288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=C(C=NN(C4=O)CCCCCCCBr)Cl

Isomeric SMILES

C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=C(C=NN(C4=O)CCCCCCCBr)Cl

InChI

InChI=1S/C24H32BrClN4O3/c25-10-6-2-1-3-7-11-30-24(31)23(20(26)16-27-30)29-14-12-28(13-15-29)17-19-18-32-21-8-4-5-9-22(21)33-19/h4-5,8-9,16,19H,1-3,6-7,10-15,17-18H2