1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-(2-nitrophenoxy)ethanone Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-14(2)20-21-15(3)12-18(22-20)23-8-10-24(11-9-23)19(26)13-29-17-7-5-4-6-16(17)25(27)28/h4-7,12,14H,8-11,13H2,1-3H3