4-(3,4-dimethylphenyl)-2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one

Systemtic Name: 4-(3,4-dimethylphenyl)-2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one Openeye Name: 4-(3,4-dimethylphenyl)-2-(5-morpholino-2-nitro-phenyl)phthalazin-1-one CAS Name: 4-(3,4-dimethylphenyl)-2-[5-(4-morpholinyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(3,4-dimethylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one Traditional Name: 4-(3,4-dimethylphenyl)-2-(5-morpholino-2-nitro-phenyl)phthalazin-1-one Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCOCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCOCC5)[N+](=O)[O-])C

InChI

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