1-(1-adamantyl)-4-nitro-N-(2-phenylpropyl)pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylpropyl)pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylpropyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylpropyl)-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylpropyl)pyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-(2-phenylpropyl)pyrazole-3-carboxamide Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CC(CNC(=O)C1=NN(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C23H28N4O3/c1-15(19-5-3-2-4-6-19)13-24-22(28)21-20(27(29)30)14-26(25-21)23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,14-18H,7-13H2,1H3,(H,24,28)