1-(1-adamantyl)-N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C26H29BrN6O3 MolecularWeight: 553.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C)Br

InChI

InChI=1S/C26H29BrN6O3/c1-15-23(27)16(2)31(29-15)13-17-4-3-5-21(9-17)28-25(34)24-22(33(35)36)14-32(30-24)26-10-18-6-19(11-26)8-20(7-18)12-26/h3-5,9,14,18-20H,6-8,10-13H2,1-2H3,(H,28,34)