2-[4-(3-nitrophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-(3-nitrophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-(3-nitrophenyl)-1-oxo-phthalazin-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[4-(3-nitrophenyl)-1-oxo-2-phthalazinyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-(3-nitrophenyl)-1-oxophthalazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[1-keto-4-(3-nitrophenyl)phthalazin-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CN=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CN=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4/c28-20(24-13-15-5-4-10-23-12-15)14-26-22(29)19-9-2-1-8-18(19)21(25-26)16-6-3-7-17(11-16)27(30)31/h1-12H,13-14H2,(H,24,28)