1-[5-butyl-1-[[4-[2-pentyl-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-pentyl-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-pentyl-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-pentyl-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-pentyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl]-1,2,4-triazol-3-yl]butan-1-one Traditional Name: 1-[1-[4-[2-amyl-5-(2H-tetrazol-5-yl)pyrrol-1-yl]benzyl]-5-butyl-1,2,4-triazol-3-yl]butan-1-one Formula: C27H36N8O MolecularWeight: 488.62774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(N1C2=CC=C(C=C2)CN3C(=NC(=N3)C(=O)CCC)CCCC)C4=NNN=N4

Isomeric SMILES

CCCCCC1=CC=C(N1C2=CC=C(C=C2)CN3C(=NC(=N3)C(=O)CCC)CCCC)C4=NNN=N4

InChI

InChI=1S/C27H36N8O/c1-4-7-9-11-21-17-18-23(26-29-32-33-30-26)35(21)22-15-13-20(14-16-22)19-34-25(12-8-5-2)28-27(31-34)24(36)10-6-3/h13-18H,4-12,19H2,1-3H3,(H,29,30,32,33)