4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-nitrophenyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3/c1-19-6-8-20(9-7-19)25-23-4-2-3-5-24(23)26(32)30(27-25)18-28-14-16-29(17-15-28)21-10-12-22(13-11-21)31(33)34/h2-13H,14-18H2,1H3