N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide

Systemtic Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide Openeye Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide CAS Name: N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-2-nitrobenzamide IUPAC Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-nitrobenzamide Traditional Name: N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-2-nitro-benzamide Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC=N2)OCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-22-7-9-23(10-8-22)16-12-17(21-13-20-16)28-11-6-19-18(25)14-4-2-3-5-15(14)24(26)27/h2-5,12-13H,6-11H2,1H3,(H,19,25)