3-(1-adamantyl)-N-(2-chloranyl-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2-chloranyl-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-chloro-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-chloro-5-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-chloro-5-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-chloro-5-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H25ClN4O3 MolecularWeight: 476.9547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=CC(=C5)[N+](=O)[O-])Cl)C6=CC=CC=C6

InChI

InChI=1S/C26H25ClN4O3/c27-22-7-6-20(31(33)34)11-23(22)28-25(32)21-15-30(19-4-2-1-3-5-19)29-24(21)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,15-18H,8-10,12-14H2,(H,28,32)