N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide Openeye Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide CAS Name: N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitrobenzamide Traditional Name: N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-3-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/c1-22-6-8-23(9-7-22)16-12-17(21-13-20-16)28-10-5-19-18(25)14-3-2-4-15(11-14)24(26)27/h2-4,11-13H,5-10H2,1H3,(H,19,25)