1-(1-adamantyl)-N-[3-(diethylamino)propyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(diethylamino)propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(diethylamino)propyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(diethylamino)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(diethylamino)propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(diethylamino)propyl]-4-nitro-pyrazole-3-carboxamide Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H33N5O3/c1-3-24(4-2)7-5-6-22-20(27)19-18(26(28)29)14-25(23-19)21-11-15-8-16(12-21)10-17(9-15)13-21/h14-17H,3-13H2,1-2H3,(H,22,27)