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

Systemtic Name: [4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-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(=C3CC4=CC=CC=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O3/c1-17-9-10-21(16-23(17)30(32)33)25(31)29-13-11-28(12-14-29)24-22(18(2)26-19(3)27-24)15-20-7-5-4-6-8-20/h4-10,16H,11-15H2,1-3H3