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

Systemtic Name: 4-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[5-[4-(2-hydroxyethyl)piperazino]-2-nitro-phenyl]phthalazin-1-one Formula: C26H24ClN5O4 MolecularWeight: 505.95286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24ClN5O4/c27-19-7-5-18(6-8-19)25-21-3-1-2-4-22(21)26(34)31(28-25)24-17-20(9-10-23(24)32(35)36)30-13-11-29(12-14-30)15-16-33/h1-10,17,33H,11-16H2