N-[[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine

Systemtic Name: N-[[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine Openeye Name: N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine CAS Name: N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-propanamine IUPAC Name: N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine Traditional Name: [3-fluoro-4-(1,2,4-triazol-1-yl)benzyl]-propyl-amine Formula: C12H15FN4 MolecularWeight: 234.272703

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC(=C(C=C1)N2C=NC=N2)F

Isomeric SMILES

CCCNCC1=CC(=C(C=C1)N2C=NC=N2)F

InChI

InChI=1S/C12H15FN4/c1-2-5-14-7-10-3-4-12(11(13)6-10)17-9-15-8-16-17/h3-4,6,8-9,14H,2,5,7H2,1H3