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

Systemtic Name: 2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(4-methyl-1-phthalazinyl)amino]phenoxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[(4-methylphthalazin-1-yl)amino]phenoxy]-1-(4-phenylpiperazino)ethanone Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-20-24-9-5-6-10-25(24)27(30-29-20)28-21-11-13-23(14-12-21)34-19-26(33)32-17-15-31(16-18-32)22-7-3-2-4-8-22/h2-14H,15-19H2,1H3,(H,28,30)