3-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzamide

Systemtic Name: 3-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzamide Openeye Name: 3-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzamide CAS Name: 3-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzamide IUPAC Name: 3-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxybenzamide Traditional Name: 3-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzamide Formula: C22H22N6O4 MolecularWeight: 434.44788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC=CC(=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC=CC(=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O4/c23-20(29)17-7-4-8-18(13-17)32-22-19(28(30)31)21(24-15-25-22)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H2,23,29)