1-(1-adamantyl)-N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-bromo-3-methyl-1-pyrazolyl)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(4-bromo-3-methyl-pyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Formula: C21H27BrN6O3 MolecularWeight: 491.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN(C=C1Br)CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27BrN6O3/c1-13-17(22)11-26(24-13)4-2-3-23-20(29)19-18(28(30)31)12-27(25-19)21-8-14-5-15(9-21)7-16(6-14)10-21/h11-12,14-16H,2-10H2,1H3,(H,23,29)