2-[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-(4-acetyl-1-piperazinyl)-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-(4-acetylpiperazino)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-14-17-5-3-4-6-18(17)21(28)25(22-14)20-13-16(7-8-19(20)26(29)30)24-11-9-23(10-12-24)15(2)27/h3-8,13H,9-12H2,1-2H3