1-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3-morpholinopropyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-morpholinyl)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3-morpholinopropyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N5O4/c27-20(22-2-1-3-24-4-6-30-7-5-24)19-18(26(28)29)14-25(23-19)21-11-15-8-16(12-21)10-17(9-15)13-21/h14-17H,1-13H2,(H,22,27)