3-[4-[2-(4-bromanylphenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-[2-(4-bromanylphenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[2-(4-bromophenoxy)ethyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-[2-(4-bromophenoxy)ethyl]piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C14H19BrN6O MolecularWeight: 367.24426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)Br)C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)Br)C3=NNC(=N3)N

InChI

InChI=1S/C14H19BrN6O/c15-11-1-3-12(4-2-11)22-10-9-20-5-7-21(8-6-20)14-17-13(16)18-19-14/h1-4H,5-10H2,(H3,16,17,18,19)