2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-(4-piperonyloylpiperazino)benzonitrile Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16FN3O3/c20-15-2-1-3-16(14(15)11-21)22-6-8-23(9-7-22)19(24)13-4-5-17-18(10-13)26-12-25-17/h1-5,10H,6-9,12H2