4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[cyclopentyl(piperonyl)amino]methyl]-3-fluoro-benzonitrile Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)CC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C21H21FN2O2/c22-19-9-15(11-23)5-7-17(19)13-24(18-3-1-2-4-18)12-16-6-8-20-21(10-16)26-14-25-20/h5-10,18H,1-4,12-14H2