1-(1-adamantyl)-N-(5-bromanylquinolin-8-yl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(5-bromanylquinolin-8-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(5-bromo-8-quinolyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(5-bromo-8-quinolinyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(5-bromoquinolin-8-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(5-bromo-8-quinolyl)-4-nitro-pyrazole-3-carboxamide Formula: C23H22BrN5O3 MolecularWeight: 496.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C6C(=C(C=C5)Br)C=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=C6C(=C(C=C5)Br)C=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C23H22BrN5O3/c24-17-3-4-18(20-16(17)2-1-5-25-20)26-22(30)21-19(29(31)32)12-28(27-21)23-9-13-6-14(10-23)8-15(7-13)11-23/h1-5,12-15H,6-11H2,(H,26,30)