1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methyl-6-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methyl-6-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[6-(2-furyl)pyridazin-3-yl]-N-(2-methyl-6-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[6-(2-furanyl)-3-pyridazinyl]-N-(2-methyl-6-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methyl-6-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-[6-(2-furyl)pyridazin-3-yl]-N-(2-methyl-6-nitro-phenyl)isonipecotamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CO4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H21N5O4/c1-14-4-2-5-17(26(28)29)20(14)22-21(27)15-9-11-25(12-10-15)19-8-7-16(23-24-19)18-6-3-13-30-18/h2-8,13,15H,9-12H2,1H3,(H,22,27)