1-[5-butyl-1-[[4-[2-tert-butyl-5-(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-[2-tert-butyl-5-(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-[2-tert-butyl-5-(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-[2-tert-butyl-5-(2H-tetrazol-5-yl)-1-pyrrolyl]phenyl]methyl]-1,2,4-triazol-3-yl]-1-butanone IUPAC Name: 1-[5-butyl-1-[[4-[2-tert-butyl-5-(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-[2-tert-butyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]benzyl]-1,2,4-triazol-3-yl]butan-1-one Formula: C26H34N8O MolecularWeight: 474.60116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C(C)(C)C)C4=NNN=N4)C(=O)CCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C(C)(C)C)C4=NNN=N4)C(=O)CCC

InChI

InChI=1S/C26H34N8O/c1-6-8-10-23-27-25(21(35)9-7-2)30-33(23)17-18-11-13-19(14-12-18)34-20(24-28-31-32-29-24)15-16-22(34)26(3,4)5/h11-16H,6-10,17H2,1-5H3,(H,28,29,31,32)