N-(5-bromanylpyridin-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(5-bromo-2-pyridyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(5-bromopyridin-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(5-bromo-2-pyridyl)-4-keto-phthalazine-1-carboxamide Formula: C21H15BrN4O2 MolecularWeight: 435.2734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN4O2/c22-15-10-11-18(23-12-15)24-20(27)19-16-8-4-5-9-17(16)21(28)26(25-19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,24,27)