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

Systemtic Name: [4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[6-methyl-2-(3-methylphenyl)-5-propan-2-yl-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[5-isopropyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C27H31N5O3 MolecularWeight: 473.56674

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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)C)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)C)C)C4=CC(=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O3/c1-17(2)24-20(5)28-25(21-8-6-7-18(3)15-21)29-26(24)30-11-13-31(14-12-30)27(33)22-10-9-19(4)23(16-22)32(34)35/h6-10,15-17H,11-14H2,1-5H3