[3-[[4-[2-bromanyl-5-(2,5-dihydro-1,2,3,4-tetrazol-1-yl)pyrrol-1-yl]phenyl]methyl]-2-butyl-5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]imidazol-4-yl]methanol

Systemtic Name: [3-[[4-[2-bromanyl-5-(2,5-dihydro-1,2,3,4-tetrazol-1-yl)pyrrol-1-yl]phenyl]methyl]-2-butyl-5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]imidazol-4-yl]methanol Openeye Name: [3-[[4-[2-bromo-5-(2,5-dihydrotetrazol-1-yl)pyrrol-1-yl]phenyl]methyl]-2-butyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-4-yl]methanol CAS Name: [3-[[4-[2-bromo-5-(2,5-dihydrotetrazol-1-yl)-1-pyrrolyl]phenyl]methyl]-2-butyl-5-(1,1,2,2,2-pentafluoroethyl)-4-imidazolyl]methanol IUPAC Name: [3-[[4-[2-bromo-5-(2,5-dihydrotetrazol-1-yl)pyrrol-1-yl]phenyl]methyl]-2-butyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-4-yl]methanol Traditional Name: [3-[4-[2-bromo-5-(2,5-dihydrotetrazol-1-yl)pyrrol-1-yl]benzyl]-2-butyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-4-yl]methanol Formula: C22H23BrF5N7O MolecularWeight: 576.360336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C(=CC=C3Br)N4CN=NN4)CO)C(C(F)(F)F)(F)F

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C(=CC=C3Br)N4CN=NN4)CO)C(C(F)(F)F)(F)F

InChI

InChI=1S/C22H23BrF5N7O/c1-2-3-4-18-30-20(21(24,25)22(26,27)28)16(12-36)33(18)11-14-5-7-15(8-6-14)35-17(23)9-10-19(35)34-13-29-31-32-34/h5-10,36H,2-4,11-13H2,1H3,(H,29,32)