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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-6-fluoro-benzonitrile CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-6-fluoro-benzonitrile Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C21H19FN2O3/c22-17-2-1-3-18(16(17)13-23)24-8-6-14(7-9-24)21(25)15-4-5-19-20(12-15)27-11-10-26-19/h1-5,12,14H,6-11H2