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

Systemtic Name: 2-[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-(4-acetyl-1-piperazinyl)-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(4-acetylpiperazino)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H23N5O4/c1-18(32)28-13-15-29(16-14-28)20-11-12-23(31(34)35)24(17-20)30-26(33)22-10-6-5-9-21(22)25(27-30)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3