5-[1-[4-[[5-butyl-3-(2-methylpropyl)-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-[[5-butyl-3-(2-methylpropyl)-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-isobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-dicyclohexyl-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexyl-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-3,5-dicyclohexylpyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(5-butyl-3-isobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3,5-dicyclohexyl-pyrrol-2-yl]-2H-tetrazole Formula: C34H48N8 MolecularWeight: 568.79852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N8/c1-4-5-16-32-35-31(21-24(2)3)38-41(32)23-25-17-19-28(20-18-25)42-30(27-14-10-7-11-15-27)22-29(26-12-8-6-9-13-26)33(42)34-36-39-40-37-34/h17-20,22,24,26-27H,4-16,21,23H2,1-3H3,(H,36,37,39,40)