4-(3,5-dimethylpiperidin-1-yl)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Openeye Name: 4-(3,5-dimethyl-1-piperidyl)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzamide Formula: C25H35N7O3 MolecularWeight: 481.5905

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C25H35N7O3/c1-19-15-20(2)18-31(17-19)22-6-5-21(16-23(22)32(34)35)24(33)26-9-4-10-29-11-13-30(14-12-29)25-27-7-3-8-28-25/h3,5-8,16,19-20H,4,9-15,17-18H2,1-2H3,(H,26,33)