N-(4-bromanyl-3-methyl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H24BrN3O2/c1-3-4-5-8-13-26-22(28)18-10-7-6-9-17(18)20(25-26)21(27)24-16-11-12-19(23)15(2)14-16/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,24,27)