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

Systemtic Name: 4-(4-chlorophenyl)-2-[5-(4-ethanoylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one CAS Name: 2-[5-(4-acetyl-1-piperazinyl)-2-nitrophenyl]-4-(4-chlorophenyl)-1-phthalazinone IUPAC Name: 2-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[5-(4-acetylpiperazino)-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C26H22ClN5O4 MolecularWeight: 503.93698

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN5O4/c1-17(33)29-12-14-30(15-13-29)20-10-11-23(32(35)36)24(16-20)31-26(34)22-5-3-2-4-21(22)25(28-31)18-6-8-19(27)9-7-18/h2-11,16H,12-15H2,1H3