2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[[4-[4-methyl-3-(1-piperidylsulfonyl)phenyl]phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[[4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl]amino]phenoxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[[4-(4-methyl-3-piperidinosulfonyl-phenyl)phthalazin-1-yl]amino]phenoxy]-1-(4-phenylpiperazino)ethanone Formula: C38H40N6O4S MolecularWeight: 676.827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6)S(=O)(=O)N7CCCCC7

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OCC(=O)N5CCN(CC5)C6=CC=CC=C6)S(=O)(=O)N7CCCCC7

InChI

InChI=1S/C38H40N6O4S/c1-28-14-15-29(26-35(28)49(46,47)44-20-8-3-9-21-44)37-33-12-6-7-13-34(33)38(41-40-37)39-30-16-18-32(19-17-30)48-27-36(45)43-24-22-42(23-25-43)31-10-4-2-5-11-31/h2,4-7,10-19,26H,3,8-9,20-25,27H2,1H3,(H,39,41)