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

Systemtic Name: 4-(4-methylphenyl)-2-(2-nitro-5-piperazin-1-yl-phenyl)phthalazin-1-one Openeye Name: 2-(2-nitro-5-piperazin-1-yl-phenyl)-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-[2-nitro-5-(1-piperazinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one Traditional Name: 2-(2-nitro-5-piperazino-phenyl)-4-(p-tolyl)phthalazin-1-one Formula: C25H23N5O3 MolecularWeight: 441.48182

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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)N5CCNCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCNCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-17-6-8-18(9-7-17)24-20-4-2-3-5-21(20)25(31)29(27-24)23-16-19(10-11-22(23)30(32)33)28-14-12-26-13-15-28/h2-11,16,26H,12-15H2,1H3