5-(4-bromophenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine

Systemtic Name: 5-(4-bromophenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine Openeye Name: 5-(4-bromophenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine CAS Name: 5-(4-bromophenyl)-3-[3-(2-phenyl-1-imidazolyl)propyl]-1,2,4-triazine IUPAC Name: 5-(4-bromophenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine Traditional Name: 5-(4-bromophenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine Formula: C21H18BrN5 MolecularWeight: 420.30512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=CN2CCCC3=NC(=CN=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=CN2CCCC3=NC(=CN=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN5/c22-18-10-8-16(9-11-18)19-15-24-26-20(25-19)7-4-13-27-14-12-23-21(27)17-5-2-1-3-6-17/h1-3,5-6,8-12,14-15H,4,7,13H2