6-[azepan-1-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]quinoline

Systemtic Name: 6-[azepan-1-yl-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]quinoline Openeye Name: 6-[azepan-1-yl-[1-(1,1-dimethylpropyl)tetrazol-5-yl]methyl]quinoline CAS Name: 6-[1-azepanyl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline IUPAC Name: 6-[azepan-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]quinoline Traditional Name: 6-[(1-tert-amyltetrazol-5-yl)-(azepan-1-yl)methyl]quinoline Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCCCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCCCCC4

InChI

InChI=1S/C22H30N6/c1-4-22(2,3)28-21(24-25-26-28)20(27-14-7-5-6-8-15-27)18-11-12-19-17(16-18)10-9-13-23-19/h9-13,16,20H,4-8,14-15H2,1-3H3