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

Systemtic Name: 2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(2-hydroxyethyl)-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-[4-(2-hydroxyethyl)piperazino]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C26H25N5O4 MolecularWeight: 471.5078

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O4/c32-17-16-28-12-14-29(15-13-28)20-10-11-23(31(34)35)24(18-20)30-26(33)22-9-5-4-8-21(22)25(27-30)19-6-2-1-3-7-19/h1-11,18,32H,12-17H2