5-[2-[4-[[5-(1-adamantylmethyl)-3-butyl-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[2-[4-[[5-(1-adamantylmethyl)-3-butyl-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[2-[4-[[5-(1-adamantylmethyl)-3-butyl-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole CAS Name: 5-[2-[4-[[5-(1-adamantylmethyl)-3-butyl-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole IUPAC Name: 5-[2-[4-[[5-(1-adamantylmethyl)-3-butyl-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole Traditional Name: 5-[2-[4-[[5-(1-adamantylmethyl)-3-butyl-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole Formula: C31H37N7 MolecularWeight: 507.67238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

Isomeric SMILES

CCCCC1=NN(C(=N1)CC23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)C6=CC=CC=C6C7=NNN=N7

InChI

InChI=1S/C31H37N7/c1-2-3-8-28-32-29(19-31-16-22-13-23(17-31)15-24(14-22)18-31)38(35-28)20-21-9-11-25(12-10-21)26-6-4-5-7-27(26)30-33-36-37-34-30/h4-7,9-12,22-24H,2-3,8,13-20H2,1H3,(H,33,34,36,37)