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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-fluoro-benzamide Formula: C23H23FN4O MolecularWeight: 390.453323

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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(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN4O/c24-19-9-5-8-18(15-19)23(29)25-20-10-6-7-17(16-20)21-11-12-22(27-26-21)28-13-3-1-2-4-14-28/h5-12,15-16H,1-4,13-14H2,(H,25,29)