3-bromanyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide

Systemtic Name: 3-bromanyl-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Openeye Name: 3-bromo-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide CAS Name: 3-bromo-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide IUPAC Name: 3-bromo-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Traditional Name: 3-bromo-N-[4-[3-ethoxy-5-(3-fluorophenyl)-1,2,4-triazol-1-yl]phenyl]benzamide Formula: C23H18BrFN4O2 MolecularWeight: 481.317023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrFN4O2/c1-2-31-23-27-21(15-5-4-8-18(25)14-15)29(28-23)20-11-9-19(10-12-20)26-22(30)16-6-3-7-17(24)13-16/h3-14H,2H2,1H3,(H,26,30)