1-[4-[(4-bromophenyl)methyl-pyridin-2-yl-amino]butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

Systemtic Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-yl-amino]butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine Openeye Name: 1-[4-[(4-bromophenyl)methyl-(2-pyridyl)amino]butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine CAS Name: 1-[4-[(4-bromophenyl)methyl-(2-pyridinyl)amino]butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine IUPAC Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-ylamino]butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine Traditional Name: 1-[4-[(4-bromobenzyl)-(2-pyridyl)amino]butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine Formula: C23H30BrN7 MolecularWeight: 484.4352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCCNC(=NCCCC2=CN=CN2)N)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)N(CCCCNC(=NCCCC2=CN=CN2)N)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H30BrN7/c24-20-10-8-19(9-11-20)17-31(22-7-1-2-12-27-22)15-4-3-13-28-23(25)29-14-5-6-21-16-26-18-30-21/h1-2,7-12,16,18H,3-6,13-15,17H2,(H,26,30)(H3,25,28,29)