3-bromanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide

Systemtic Name: 3-bromanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide Openeye Name: 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)adamantane-1-carboxamide CAS Name: 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-adamantanecarboxamide IUPAC Name: 3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)adamantane-1-carboxamide Traditional Name: 3-bromo-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)adamantane-1-carboxamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H26BrN3O2/c1-14-18(19(27)26(25(14)2)17-6-4-3-5-7-17)24-20(28)21-9-15-8-16(10-21)12-22(23,11-15)13-21/h3-7,15-16H,8-13H2,1-2H3,(H,24,28)