N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-bromanyl-4,5-dimethoxy-benzamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-bromanyl-4,5-dimethoxy-benzamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-bromo-4,5-dimethoxy-benzamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-bromo-4,5-dimethoxybenzamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-bromo-4,5-dimethoxybenzamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-bromo-4,5-dimethoxy-benzamide Formula: C19H17BrN6O3 MolecularWeight: 457.28068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)Br)OC

InChI

InChI=1S/C19H17BrN6O3/c1-28-17-7-13(14(20)8-18(17)29-2)19(27)22-12-9-21-25(10-12)11-26-16-6-4-3-5-15(16)23-24-26/h3-10H,11H2,1-2H3,(H,22,27)