N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromanyl-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromo-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-bromobenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromobenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromo-benzamide Formula: C23H23BrN4O MolecularWeight: 451.35892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4O/c24-19-10-8-17(9-11-19)23(29)25-20-7-5-6-18(16-20)21-12-13-22(27-26-21)28-14-3-1-2-4-15-28/h5-13,16H,1-4,14-15H2,(H,25,29)