N-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-keto-3H-phthalazine-1-carboxamide Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H12BrN3O2/c1-9-8-10(17)6-7-13(9)18-16(22)14-11-4-2-3-5-12(11)15(21)20-19-14/h2-8H,1H3,(H,18,22)(H,20,21)