N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-nicotinamide Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O/c23-18-12-17(14-24-15-18)22(29)25-19-7-5-6-16(13-19)20-8-9-21(27-26-20)28-10-3-1-2-4-11-28/h5-9,12-15H,1-4,10-11H2,(H,25,29)