2-bromanyl-3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-bromanyl-3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-bromo-3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-bromo-3-but-2-ynyl-5-[(1-methyl-5-benzotriazolyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-bromo-3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-bromo-3-but-2-ynyl-5-[(1-methylbenzotriazol-5-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C17H14BrN7O MolecularWeight: 412.24336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N(N=N4)C)N=C1Br

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=C(C=C3)N(N=N4)C)N=C1Br

InChI

InChI=1S/C17H14BrN7O/c1-3-4-7-24-15-13(20-17(24)18)9-19-25(16(15)26)10-11-5-6-14-12(8-11)21-22-23(14)2/h5-6,8-9H,7,10H2,1-2H3