[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(4-bromanylphenoxy)pyridin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(4-bromanylphenoxy)pyridin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(4-bromophenoxy)-3-pyridyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-(4-bromophenoxy)-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(4-bromophenoxy)pyridin-3-yl]methanone Traditional Name: [6-(4-bromophenoxy)-3-pyridyl]-(4-piperonylpiperazino)methanone Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)OC5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)OC5=CC=C(C=C5)Br

InChI

InChI=1S/C24H22BrN3O4/c25-19-3-5-20(6-4-19)32-23-8-2-18(14-26-23)24(29)28-11-9-27(10-12-28)15-17-1-7-21-22(13-17)31-16-30-21/h1-8,13-14H,9-12,15-16H2