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

Systemtic Name: [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[5-ethyl-6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[5-ethyl-6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[5-ethyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N5O3/c1-5-22-19(4)27-24(20-9-6-17(2)7-10-20)28-25(22)29-12-14-30(15-13-29)26(32)21-11-8-18(3)23(16-21)31(33)34/h6-11,16H,5,12-15H2,1-4H3