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

Systemtic Name: 2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-[4-(2-hydroxyethyl)-1-piperazinyl]-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-[4-(2-hydroxyethyl)piperazino]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H27N5O4 MolecularWeight: 485.53438

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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)N5CCN(CC5)CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)CCO)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O4/c1-19-6-8-20(9-7-19)26-22-4-2-3-5-23(22)27(34)31(28-26)25-18-21(10-11-24(25)32(35)36)30-14-12-29(13-15-30)16-17-33/h2-11,18,33H,12-17H2,1H3