1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone

Systemtic Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]-2-(2-nitrophenyl)ethanone Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O3/c1-13-11-14(2)20-18(19-13)22-9-7-21(8-10-22)17(24)12-15-5-3-4-6-16(15)23(25)26/h3-6,11H,7-10,12H2,1-2H3