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

Systemtic Name: [4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[5,6-dimethyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[5,6-dimethyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[5,6-dimethyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[5,6-dimethyl-2-(m-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=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC(=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC(=CC=C4)C)[N+](=O)[O-]

InChI

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