3-nitro-N-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]ethyl]-3-nitro-benzamide Formula: C20H25N7O4 MolecularWeight: 427.457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C20H25N7O4/c28-18(15-24-19(29)16-4-1-5-17(14-16)27(30)31)21-8-3-9-25-10-12-26(13-11-25)20-22-6-2-7-23-20/h1-2,4-7,14H,3,8-13,15H2,(H,21,28)(H,24,29)