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

Systemtic Name: 4-oxidanylidene-N-(3-oxidanylpyridin-2-yl)-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-hydroxy-2-pyridyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-hydroxy-2-pyridinyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-hydroxypyridin-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-hydroxy-2-pyridyl)-4-keto-phthalazine-1-carboxamide Formula: C21H16N4O3 MolecularWeight: 372.37674

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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=C(C=CC=N4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC=N4)O

InChI

InChI=1S/C21H16N4O3/c26-17-11-6-12-22-19(17)23-20(27)18-15-9-4-5-10-16(15)21(28)25(24-18)13-14-7-2-1-3-8-14/h1-12,26H,13H2,(H,22,23,27)