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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN4O/c24-19-7-5-6-18(16-19)23(29)25-20-10-8-17(9-11-20)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)