1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-isonipecotonitrile Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C21H21FN2O2/c22-19-10-16(20-17(11-19)13-25-15-26-20)12-24-8-6-21(14-23,7-9-24)18-4-2-1-3-5-18/h1-5,10-11H,6-9,12-13,15H2