(E)-3-pyridin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-pyridin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-pyridyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-pyridinyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-pyridin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(3-pyridyl)-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]acrylamide Formula: C18H17N5O MolecularWeight: 319.36048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C=CC2=CN=CC=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CN=CC=C2)CN3C=NC=N3

InChI

InChI=1S/C18H17N5O/c24-18(8-7-15-4-3-9-19-10-15)21-11-16-5-1-2-6-17(16)12-23-14-20-13-22-23/h1-10,13-14H,11-12H2,(H,21,24)/b8-7+