[4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C)C

InChI

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