4-(4-methylpiperazin-1-yl)-N-[6-(4-nitrophenoxy)pyrimidin-4-yl]piperidine-1-carboxamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-[6-(4-nitrophenoxy)pyrimidin-4-yl]piperidine-1-carboxamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-[6-(4-nitrophenoxy)pyrimidin-4-yl]piperidine-1-carboxamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-[6-(4-nitrophenoxy)-4-pyrimidinyl]-1-piperidinecarboxamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-[6-(4-nitrophenoxy)pyrimidin-4-yl]piperidine-1-carboxamide Traditional Name: 4-(4-methylpiperazino)-N-[6-(4-nitrophenoxy)pyrimidin-4-yl]piperidine-1-carboxamide Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=CC(=NC=N3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N7O4/c1-25-10-12-26(13-11-25)16-6-8-27(9-7-16)21(29)24-19-14-20(23-15-22-19)32-18-4-2-17(3-5-18)28(30)31/h2-5,14-16H,6-13H2,1H3,(H,22,23,24,29)