3-[(butan-2-ylamino)methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(butan-2-ylamino)methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 4-fluoro-3-[(sec-butylamino)methyl]benzonitrile CAS Name: 3-[(butan-2-ylamino)methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(butan-2-ylamino)methyl]-4-fluorobenzonitrile Traditional Name: 4-fluoro-3-[(sec-butylamino)methyl]benzonitrile Formula: C12H15FN2 MolecularWeight: 206.259303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

CCC(C)NCC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C12H15FN2/c1-3-9(2)15-8-11-6-10(7-14)4-5-12(11)13/h4-6,9,15H,3,8H2,1-2H3