N-(4-methoxyphenyl)-4-(4-morpholin-4-yl-3-nitro-phenyl)phthalazin-1-amine

Systemtic Name: N-(4-methoxyphenyl)-4-(4-morpholin-4-yl-3-nitro-phenyl)phthalazin-1-amine Openeye Name: N-(4-methoxyphenyl)-4-(4-morpholino-3-nitro-phenyl)phthalazin-1-amine CAS Name: N-(4-methoxyphenyl)-4-[4-(4-morpholinyl)-3-nitrophenyl]-1-phthalazinamine IUPAC Name: N-(4-methoxyphenyl)-4-(4-morpholin-4-yl-3-nitrophenyl)phthalazin-1-amine Traditional Name: (4-methoxyphenyl)-[4-(4-morpholino-3-nitro-phenyl)phthalazin-1-yl]amine Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4/c1-33-19-9-7-18(8-10-19)26-25-21-5-3-2-4-20(21)24(27-28-25)17-6-11-22(23(16-17)30(31)32)29-12-14-34-15-13-29/h2-11,16H,12-15H2,1H3,(H,26,28)