N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-bromo-benzamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-bromobenzamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-bromobenzamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-bromo-benzamide Formula: C23H23BrN4O MolecularWeight: 451.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H23BrN4O/c24-20-8-4-3-7-19(20)23(29)25-18-11-9-17(10-12-18)21-13-14-22(27-26-21)28-15-5-1-2-6-16-28/h3-4,7-14H,1-2,5-6,15-16H2,(H,25,29)