2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-6-fluoro-benzonitrile Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H18FN3O3/c21-15-4-3-5-16(14(15)12-22)23-8-10-24(11-9-23)20(25)19-13-26-17-6-1-2-7-18(17)27-19/h1-7,19H,8-11,13H2