1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-2-phenoxy-ethanone Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H28N4O2/c1-18-8-7-9-21(16-18)24-26-20(3)19(2)25(27-24)29-14-12-28(13-15-29)23(30)17-31-22-10-5-4-6-11-22/h4-11,16H,12-15,17H2,1-3H3