N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C22H24BrN3O4 MolecularWeight: 474.34766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H24BrN3O4/c1-13(2)26-22(28)16-8-6-5-7-15(16)20(25-26)21(27)24-10-9-14-11-18(29-3)19(30-4)12-17(14)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,27)