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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C22H16BrN3O2 MolecularWeight: 434.28534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H16BrN3O2/c1-14-11-12-19(18(23)13-14)24-21(27)20-16-9-5-6-10-17(16)22(28)26(25-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,27)