1-(1-adamantyl)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C21H28N6O3 MolecularWeight: 412.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCN1C(=C(C=N1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H28N6O3/c1-3-25-13(2)17(11-23-25)10-22-20(28)19-18(27(29)30)12-26(24-19)21-7-14-4-15(8-21)6-16(5-14)9-21/h11-12,14-16H,3-10H2,1-2H3,(H,22,28)