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

Systemtic Name: 3-(1-adamantyl)-N-(5-bromanylquinolin-8-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(5-bromo-8-quinolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(5-bromo-8-quinolinyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(5-bromoquinolin-8-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(5-bromo-8-quinolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C29H27BrN4O MolecularWeight: 527.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C6C(=C(C=C5)Br)C=CC=N6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C6C(=C(C=C5)Br)C=CC=N6)C7=CC=CC=C7

InChI

InChI=1S/C29H27BrN4O/c30-24-8-9-25(26-22(24)7-4-10-31-26)32-28(35)23-17-34(21-5-2-1-3-6-21)33-27(23)29-14-18-11-19(15-29)13-20(12-18)16-29/h1-10,17-20H,11-16H2,(H,32,35)