2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H24ClN5O3 MolecularWeight: 489.95346

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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=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN5O3/c1-18-6-8-19(9-7-18)25-21-4-2-3-5-22(21)26(33)31(28-25)17-29-12-14-30(15-13-29)23-11-10-20(27)16-24(23)32(34)35/h2-11,16H,12-15,17H2,1H3