1-(1-adamantyl)-4-nitro-N-pyridin-4-yl-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-pyridin-4-yl-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-4-nitro-N-(4-pyridyl)pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-pyridin-4-yl-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-4-nitro-N-pyridin-4-ylpyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-4-nitro-N-(4-pyridyl)pyrazole-3-carboxamide Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=NC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=NC=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3/c25-18(21-15-1-3-20-4-2-15)17-16(24(26)27)11-23(22-17)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,20,21,25)