N-(1-adamantyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-furan-2-carboxamide

Systemtic Name: N-(1-adamantyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-furan-2-carboxamide Openeye Name: N-(1-adamantyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-furan-2-carboxamide CAS Name: N-(1-adamantyl)-5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-methyl-2-furancarboxamide IUPAC Name: N-(1-adamantyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-methylfuran-2-carboxamide Traditional Name: N-(1-adamantyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-methyl-2-furamide Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N(C)C34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N(C)C34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-13-20(26(28)29)14(2)25(23-13)12-18-4-5-19(30-18)21(27)24(3)22-9-15-6-16(10-22)8-17(7-15)11-22/h4-5,15-17H,6-12H2,1-3H3