2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[4-[[4-(p-tolyl)phthalazin-1-yl]amino]phenoxy]ethanone CAS Name: 2-[4-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenoxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[4-[[4-(p-tolyl)phthalazin-1-yl]amino]phenoxy]ethanone Formula: C33H31N5O2 MolecularWeight: 529.63154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H31N5O2/c1-24-11-13-25(14-12-24)32-29-9-5-6-10-30(29)33(36-35-32)34-26-15-17-28(18-16-26)40-23-31(39)38-21-19-37(20-22-38)27-7-3-2-4-8-27/h2-18H,19-23H2,1H3,(H,34,36)