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

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-4-nitro-benzamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c25-16(22-10-12-23(13-11-22)18-20-7-1-8-21-18)6-9-19-17(26)14-2-4-15(5-3-14)24(27)28/h1-5,7-8H,6,9-13H2,(H,19,26)