N4-[(3-nitrophenyl)-[1-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(3-nitrophenyl)-[1-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(3-nitrophenyl)-[1-(1,1,3,3-tetramethylbutyl)tetrazol-5-yl]methyl]cyclohexane-1,4-diamine CAS Name: N4-[(3-nitrophenyl)-[1-(2,4,4-trimethylpentan-2-yl)-5-tetrazolyl]methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(3-nitrophenyl)-[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(3-nitrophenyl)-[1-(1,1,3,3-tetramethylbutyl)tetrazol-5-yl]methyl]amine Formula: C22H35N7O2 MolecularWeight: 429.559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N1C(=NN=N1)C(C2=CC(=CC=C2)[N+](=O)[O-])NC3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(C)(C)N1C(=NN=N1)C(C2=CC(=CC=C2)[N+](=O)[O-])NC3CCC(CC3)N

InChI

InChI=1S/C22H35N7O2/c1-21(2,3)14-22(4,5)28-20(25-26-27-28)19(24-17-11-9-16(23)10-12-17)15-7-6-8-18(13-15)29(30)31/h6-8,13,16-17,19,24H,9-12,14,23H2,1-5H3