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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromanylphenoxy)pyridin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromophenoxy)-3-pyridyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-(3-bromophenoxy)-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromophenoxy)pyridin-3-yl]methanone Traditional Name: [6-(3-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(=CC=C5)Br

Isomeric SMILES

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

InChI

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