3,5-dinitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide

Systemtic Name: 3,5-dinitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide Openeye Name: 3,5-dinitro-N-[3-[6-(1-piperidyl)pyridazin-3-yl]phenyl]benzamide CAS Name: 3,5-dinitro-N-[3-[6-(1-piperidinyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 3,5-dinitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide Traditional Name: 3,5-dinitro-N-[3-(6-piperidinopyridazin-3-yl)phenyl]benzamide Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O5/c29-22(16-12-18(27(30)31)14-19(13-16)28(32)33)23-17-6-4-5-15(11-17)20-7-8-21(25-24-20)26-9-2-1-3-10-26/h4-8,11-14H,1-3,9-10H2,(H,23,29)