1-[5-butyl-1-[[4-[3-fluoranyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-one

Systemtic Name: 1-[5-butyl-1-[[4-[3-fluoranyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-one Openeye Name: 1-[5-butyl-1-[[4-[3-fluoro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-one CAS Name: 1-[5-butyl-1-[[4-[3-fluoro-2-(2H-tetrazol-5-yl)-1-pyrrolyl]phenyl]methyl]-1,2,4-triazol-3-yl]-1-butanone IUPAC Name: 1-[5-butyl-1-[[4-[3-fluoro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[5-butyl-1-[4-[3-fluoro-2-(2H-tetrazol-5-yl)pyrrol-1-yl]benzyl]-1,2,4-triazol-3-yl]butan-1-one Formula: C22H25FN8O MolecularWeight: 436.485303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)F)C(=O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)F)C(=O)CCC

InChI

InChI=1S/C22H25FN8O/c1-3-5-7-19-24-21(18(32)6-4-2)27-31(19)14-15-8-10-16(11-9-15)30-13-12-17(23)20(30)22-25-28-29-26-22/h8-13H,3-7,14H2,1-2H3,(H,25,26,28,29)