(E)-3-[4-phenethyl-5-(pyridin-4-ylmethyl)furan-3-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-phenethyl-5-(pyridin-4-ylmethyl)furan-3-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-phenethyl-5-(4-pyridylmethyl)-3-furyl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[4-phenethyl-5-(pyridin-4-ylmethyl)-3-furanyl]-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-[4-phenethyl-5-(pyridin-4-ylmethyl)furan-3-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-phenethyl-5-(4-pyridylmethyl)-3-furyl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(OC=C2C=CC(=O)C3=NC=NN3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(OC=C2/C=C/C(=O)C3=NC=NN3)CC4=CC=NC=C4

InChI

InChI=1S/C23H20N4O2/c28-21(23-25-16-26-27-23)9-7-19-15-29-22(14-18-10-12-24-13-11-18)20(19)8-6-17-4-2-1-3-5-17/h1-5,7,9-13,15-16H,6,8,14H2,(H,25,26,27)/b9-7+