4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-phenyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 4-[4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-nitrophenyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[4-(2-hydroxyethyl)piperazino]-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)CCO)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)CCO)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-23-21(28)17-5-3-2-4-16(17)20(22-23)15-6-7-18(19(14-15)26(29)30)25-10-8-24(9-11-25)12-13-27/h2-7,14,27H,8-13H2,1H3