4-(4-ethylphenyl)-2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one

Systemtic Name: 4-(4-ethylphenyl)-2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one Openeye Name: 4-(4-ethylphenyl)-2-(5-morpholino-2-nitro-phenyl)phthalazin-1-one CAS Name: 4-(4-ethylphenyl)-2-[5-(4-morpholinyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-ethylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one Traditional Name: 4-(4-ethylphenyl)-2-(5-morpholino-2-nitro-phenyl)phthalazin-1-one Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4/c1-2-18-7-9-19(10-8-18)25-21-5-3-4-6-22(21)26(31)29(27-25)24-17-20(11-12-23(24)30(32)33)28-13-15-34-16-14-28/h3-12,17H,2,13-16H2,1H3