2-[5-tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[5-tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-tert-butyl-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]oxy]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[5-tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]oxy-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[5-tert-butyl-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]oxy-1-(4-phenylpiperazino)ethanone Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(C)(C)C)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(C)(C)C)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H32N6O2/c1-18-15-19(2)27-24(26-18)31-23(16-21(28-31)25(3,4)5)33-17-22(32)30-13-11-29(12-14-30)20-9-7-6-8-10-20/h6-10,15-16H,11-14,17H2,1-5H3