5-[4-[2-(2-bromanylpyridin-3-yl)oxyethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile

Systemtic Name: 5-[4-[2-(2-bromanylpyridin-3-yl)oxyethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Openeye Name: 5-[4-[2-[(2-bromo-3-pyridyl)oxy]ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile CAS Name: 5-[4-[2-[(2-bromo-3-pyridinyl)oxy]ethyl]-1-piperazinyl]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile IUPAC Name: 5-[4-[2-(2-bromopyridin-3-yl)oxyethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-8-carbonitrile Traditional Name: 5-[4-[2-[(2-bromo-3-pyridyl)oxy]ethyl]piperazino]-2,3-dihydro-1,4-benzodioxin-8-carbonitrile Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=C(N=CC=C2)Br)C3=C4C(=C(C=C3)C#N)OCCO4

Isomeric SMILES

C1CN(CCN1CCOC2=C(N=CC=C2)Br)C3=C4C(=C(C=C3)C#N)OCCO4

InChI

InChI=1S/C20H21BrN4O3/c21-20-17(2-1-5-23-20)26-11-10-24-6-8-25(9-7-24)16-4-3-15(14-22)18-19(16)28-13-12-27-18/h1-5H,6-13H2