2-(3-methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazino]ethanone Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c1-20-8-7-11-22(18-20)33-19-25(32)30-14-16-31(17-15-30)27-24-13-6-5-12-23(24)26(28-29-27)21-9-3-2-4-10-21/h2-13,18H,14-17,19H2,1H3