1-[1-(4-bromophenyl)-4-(pyridin-2-ylamino)butan-2-yl]-2-(3-imidazol-1-ylpropyl)guanidine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCC(CC2=CC=C(C=C2)Br)NC(=NCCCN3C=CN=C3)N

Isomeric SMILES

C1=CC=NC(=C1)NCCC(CC2=CC=C(C=C2)Br)NC(=NCCCN3C=CN=C3)N

InChI

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