N-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[6-(2-fluoranyl-4-nitro-phenoxy)pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-4-(1-methyl-4-piperidyl)piperazine-1-carboxamide CAS Name: N-[6-(2-fluoro-4-nitrophenoxy)-4-pyrimidinyl]-4-(1-methyl-4-piperidinyl)-1-piperazinecarboxamide IUPAC Name: N-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide Traditional Name: N-[6-(2-fluoro-4-nitro-phenoxy)pyrimidin-4-yl]-4-(1-methyl-4-piperidyl)piperazine-1-carboxamide Formula: C21H26FN7O4 MolecularWeight: 459.474043

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H26FN7O4/c1-26-6-4-15(5-7-26)27-8-10-28(11-9-27)21(30)25-19-13-20(24-14-23-19)33-18-3-2-16(29(31)32)12-17(18)22/h2-3,12-15H,4-11H2,1H3,(H,23,24,25,30)