3-fluoranyl-4-[(1-oxidanylbutan-2-ylamino)methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(1-oxidanylbutan-2-ylamino)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[1-(hydroxymethyl)propylamino]methyl]benzonitrile CAS Name: 3-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzonitrile Traditional Name: 3-fluoro-4-[(1-methylolpropylamino)methyl]benzonitrile Formula: C12H15FN2O MolecularWeight: 222.258703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN2O/c1-2-11(8-16)15-7-10-4-3-9(6-14)5-12(10)13/h3-5,11,15-16H,2,7-8H2,1H3