N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-bromanyl-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-bromanyl-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-bromo-2-oxo-chromene-3-carboxamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-6-bromo-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-bromo-2-oxochromene-3-carboxamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6-bromo-2-keto-chromene-3-carboxamide Formula: C26H23BrN4O3 MolecularWeight: 519.38982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=CC(=C5)Br)OC4=O

InChI

InChI=1S/C26H23BrN4O3/c27-19-8-10-23-18(14-19)16-21(26(33)34-23)25(32)28-20-7-5-6-17(15-20)22-9-11-24(30-29-22)31-12-3-1-2-4-13-31/h5-11,14-16H,1-4,12-13H2,(H,28,32)