3-(1,3-benzodioxol-4-ylmethylamino)-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-4-ylmethylamino)-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-(1,3-benzodioxol-4-ylmethylamino)-5-fluoro-4-methyl-benzonitrile CAS Name: 3-(1,3-benzodioxol-4-ylmethylamino)-5-fluoro-4-methylbenzonitrile IUPAC Name: 3-(1,3-benzodioxol-4-ylmethylamino)-5-fluoro-4-methylbenzonitrile Traditional Name: 3-(1,3-benzodioxol-4-ylmethylamino)-5-fluoro-4-methyl-benzonitrile Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NCC2=C3C(=CC=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NCC2=C3C(=CC=C2)OCO3

InChI

InChI=1S/C16H13FN2O2/c1-10-13(17)5-11(7-18)6-14(10)19-8-12-3-2-4-15-16(12)21-9-20-15/h2-6,19H,8-9H2,1H3