1-(1-adamantyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N6O3/c1-14-3-5-23-25(14)6-2-4-22-20(28)19-18(27(29)30)13-26(24-19)21-10-15-7-16(11-21)9-17(8-15)12-21/h3,5,13,15-17H,2,4,6-12H2,1H3,(H,22,28)