1-[4-[4-(4-methylphenyl)-1,2-dihydrophthalazin-1-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[4-(4-methylphenyl)-1,2-dihydrophthalazin-1-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 2-phenoxy-1-[4-[4-(p-tolyl)-1,2-dihydrophthalazin-1-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-(4-methylphenyl)-1,2-dihydrophthalazin-1-yl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[4-(4-methylphenyl)-1,2-dihydrophthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-[4-[4-(p-tolyl)-1,2-dihydrophthalazin-1-yl]piperazino]ethanone Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(C3=CC=CC=C32)N4CCN(CC4)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-20-11-13-21(14-12-20)26-23-9-5-6-10-24(23)27(29-28-26)31-17-15-30(16-18-31)25(32)19-33-22-7-3-2-4-8-22/h2-14,27,29H,15-19H2,1H3