[4-[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[5,6-dimethyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[5,6-dimethyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[5,6-dimethyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C25H27N5O3/c1-16-5-8-20(9-6-16)23-26-19(4)18(3)24(27-23)28-11-13-29(14-12-28)25(31)21-10-7-17(2)22(15-21)30(32)33/h5-10,15H,11-14H2,1-4H3