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

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N7O3/c1-24(2)17-6-5-16(15-18(17)27(29)30)19(28)21-9-4-10-25-11-13-26(14-12-25)20-22-7-3-8-23-20/h3,5-8,15H,4,9-14H2,1-2H3,(H,21,28)