N2-[(3-bromanyl-4-methoxy-phenyl)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]cyclohexane-1,2-diamine

Systemtic Name: N2-[(3-bromanyl-4-methoxy-phenyl)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]cyclohexane-1,2-diamine Openeye Name: N2-[(3-bromo-4-methoxy-phenyl)-(1-tert-butyltetrazol-5-yl)methyl]cyclohexane-1,2-diamine CAS Name: N2-[(3-bromo-4-methoxyphenyl)-(1-tert-butyl-5-tetrazolyl)methyl]cyclohexane-1,2-diamine IUPAC Name: 2-N-[(3-bromo-4-methoxyphenyl)-(1-tert-butyltetrazol-5-yl)methyl]cyclohexane-1,2-diamine Traditional Name: (2-aminocyclohexyl)-[(3-bromo-4-methoxy-phenyl)-(1-tert-butyltetrazol-5-yl)methyl]amine Formula: C19H29BrN6O MolecularWeight: 437.37716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)Br)NC3CCCCC3N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)OC)Br)NC3CCCCC3N

InChI

InChI=1S/C19H29BrN6O/c1-19(2,3)26-18(23-24-25-26)17(22-15-8-6-5-7-14(15)21)12-9-10-16(27-4)13(20)11-12/h9-11,14-15,17,22H,5-8,21H2,1-4H3