1-[3-(furan-2-yl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[3-(furan-2-yl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-(benzylamino)-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[3-(2-furanyl)-5-[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-(benzylamino)-3-(furan-2-yl)-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-(benzylamino)-3-(2-furyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C21H18N4O3 MolecularWeight: 374.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)COC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H18N4O3/c26-19(15-28-17-10-5-2-6-11-17)25-21(22-14-16-8-3-1-4-9-16)23-20(24-25)18-12-7-13-27-18/h1-13H,14-15H2,(H,22,23,24)