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

Systemtic Name: 4-(4-methylphenyl)-2-(2-nitro-5-piperidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 2-[2-nitro-5-(1-piperidyl)phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-nitro-5-(1-piperidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-(2-nitro-5-piperidin-1-ylphenyl)phthalazin-1-one Traditional Name: 2-(2-nitro-5-piperidino-phenyl)-4-(p-tolyl)phthalazin-1-one Formula: C26H24N4O3 MolecularWeight: 440.49376

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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)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O3/c1-18-9-11-19(12-10-18)25-21-7-3-4-8-22(21)26(31)29(27-25)24-17-20(13-14-23(24)30(32)33)28-15-5-2-6-16-28/h3-4,7-14,17H,2,5-6,15-16H2,1H3