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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-2-furamide Formula: C22H21BrN6O4 MolecularWeight: 513.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=CC=C(O3)CN4C=C(C(=N4)[N+](=O)[O-])Br)C

InChI

InChI=1S/C22H21BrN6O4/c1-13-6-4-5-7-16(13)10-28-15(3)20(14(2)25-28)24-22(30)19-9-8-17(33-19)11-27-12-18(23)21(26-27)29(31)32/h4-9,12H,10-11H2,1-3H3,(H,24,30)