5-[1-[4-[[3-[1,1-bis(fluoranyl)butyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[[3-[1,1-bis(fluoranyl)butyl]-5-butyl-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexyl-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexyl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[[5-butyl-3-(1,1-difluorobutyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexyl-pyrrol-2-yl]-2H-tetrazole Formula: C34H46F2N8 MolecularWeight: 604.779446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC(=C3C4=NNN=N4)C5CCCCC5)C6CCCCC6)C(CCC)(F)F

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC(=C3C4=NNN=N4)C5CCCCC5)C6CCCCC6)C(CCC)(F)F

InChI

InChI=1S/C34H46F2N8/c1-3-5-16-30-37-33(34(35,36)21-4-2)40-43(30)23-24-17-19-27(20-18-24)44-29(26-14-10-7-11-15-26)22-28(25-12-8-6-9-13-25)31(44)32-38-41-42-39-32/h17-20,22,25-26H,3-16,21,23H2,1-2H3,(H,38,39,41,42)