1-(1-adamantyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(2-benzoyl-4-chloro-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(2-benzoyl-4-chlorophenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(2-benzoyl-4-chlorophenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(2-benzoyl-4-chloro-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C27H25ClN4O4 MolecularWeight: 504.9648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H25ClN4O4/c28-20-6-7-22(21(11-20)25(33)19-4-2-1-3-5-19)29-26(34)24-23(32(35)36)15-31(30-24)27-12-16-8-17(13-27)10-18(9-16)14-27/h1-7,11,15-18H,8-10,12-14H2,(H,29,34)