(E)-3-[2-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-[2-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-[2-phenethyl-5-(4-pyridylmethyl)-3-furyl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[2-phenethyl-5-(pyridin-4-ylmethyl)-3-furanyl]-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-[2-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-[2-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(C=C(O2)CC3=CC=NC=C3)C=CC(=O)C4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=C(O2)CC3=CC=NC=C3)/C=C/C(=O)C4=NC=NN4

InChI

InChI=1S/C23H20N4O2/c28-21(23-25-16-26-27-23)8-7-19-15-20(14-18-10-12-24-13-11-18)29-22(19)9-6-17-4-2-1-3-5-17/h1-5,7-8,10-13,15-16H,6,9,14H2,(H,25,26,27)/b8-7+