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

Systemtic Name: N-(1-adamantylmethyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(1-adamantylmethyl)-5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)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)NCC34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c1-13-20(26(28)29)14(2)25(24-13)11-18-3-4-19(30-18)21(27)23-12-22-8-15-5-16(9-22)7-17(6-15)10-22/h3-4,15-17H,5-12H2,1-2H3,(H,23,27)