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

Systemtic Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-2-(3-imidazol-1-ylpropyl)guanidine Openeye Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-2-(3-imidazol-1-ylpropyl)guanidine CAS Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]-2-[3-(1-imidazolyl)propyl]guanidine IUPAC Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-2-(3-imidazol-1-ylpropyl)guanidine Traditional Name: 1-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-2-(3-imidazol-1-ylpropyl)guanidine Formula: C22H28BrN7 MolecularWeight: 470.40862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC(=NCCCN2C=CN=C2)N)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC(=NCCCN2C=CN=C2)N)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN7/c23-20-8-6-19(7-9-20)17-30(21-5-1-2-10-26-21)15-4-12-28-22(24)27-11-3-14-29-16-13-25-18-29/h1-2,5-10,13,16,18H,3-4,11-12,14-15,17H2,(H3,24,27,28)