N-[5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-(3-methyl-4-oxo-phthalazin-1-yl)-2-morpholino-phenyl]-4-nitro-benzamide CAS Name: N-[5-(3-methyl-4-oxo-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-nitrobenzamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-morpholino-phenyl]-4-nitro-benzamide Formula: C26H23N5O5 MolecularWeight: 485.49132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCOCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O5/c1-29-26(33)21-5-3-2-4-20(21)24(28-29)18-8-11-23(30-12-14-36-15-13-30)22(16-18)27-25(32)17-6-9-19(10-7-17)31(34)35/h2-11,16H,12-15H2,1H3,(H,27,32)