3-[4-[3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine

Systemtic Name: 3-[4-[3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Openeye Name: 3-[4-[3-[(3-bromophenyl)methyl-(4-pyridylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine CAS Name: 3-[4-[3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]-1-piperazinyl]-1-propanamine IUPAC Name: 3-[4-[3-[(3-bromophenyl)methyl-(pyridin-4-ylmethyl)amino]propyl]piperazin-1-yl]propan-1-amine Traditional Name: 3-[4-(3-aminopropyl)piperazino]propyl-(3-bromobenzyl)-(4-pyridylmethyl)amine Formula: C23H34BrN5 MolecularWeight: 460.45356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN)CCCN(CC2=CC=NC=C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1CCCN)CCCN(CC2=CC=NC=C2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H34BrN5/c24-23-5-1-4-22(18-23)20-29(19-21-6-9-26-10-7-21)13-3-12-28-16-14-27(15-17-28)11-2-8-25/h1,4-7,9-10,18H,2-3,8,11-17,19-20,25H2