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

Systemtic Name: 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenoxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazino)ethanone Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C33H31N5O3/c1-40-27-15-11-24(12-16-27)32-29-9-5-6-10-30(29)33(36-35-32)34-25-13-17-28(18-14-25)41-23-31(39)38-21-19-37(20-22-38)26-7-3-2-4-8-26/h2-18H,19-23H2,1H3,(H,34,36)