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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

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