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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromanyl-benzamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromo-benzamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-bromobenzamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-bromobenzamide Traditional Name: N-[4-[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=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

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