1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 2-(4-nitrophenoxy)-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 2-(4-nitrophenoxy)-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]ethanone Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O4/c1-19-6-8-20(9-7-19)26-23-4-2-3-5-24(23)27(29-28-26)31-16-14-30(15-17-31)25(33)18-36-22-12-10-21(11-13-22)32(34)35/h2-13H,14-18H2,1H3