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

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C21H27N5O3 MolecularWeight: 397.47078

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-13(2)19-15(4)22-16(5)23-20(19)24-8-10-25(11-9-24)21(27)17-7-6-14(3)18(12-17)26(28)29/h6-7,12-13H,8-11H2,1-5H3