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

Systemtic Name: [4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[5-ethyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[5-ethyl-6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[5-ethyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[5-ethyl-6-methyl-2-(m-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(=CC=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(=CC=C4)C)C

InChI

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