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

Systemtic Name: 4-(4-methylphenyl)-2-(5-morpholin-4-yl-2-nitro-phenyl)phthalazin-1-one Openeye Name: 2-(5-morpholino-2-nitro-phenyl)-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[5-(4-morpholinyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one Traditional Name: 2-(5-morpholino-2-nitro-phenyl)-4-(p-tolyl)phthalazin-1-one Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4/c1-17-6-8-18(9-7-17)24-20-4-2-3-5-21(20)25(30)28(26-24)23-16-19(10-11-22(23)29(31)32)27-12-14-33-15-13-27/h2-11,16H,12-15H2,1H3