N-(5-bromanylquinolin-8-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H19BrN4O2 MolecularWeight: 499.35866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCN3C=CC(=N3)C(=O)NC4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C26H19BrN4O2/c27-22-12-13-23(25-21(22)7-4-15-28-25)29-26(32)24-14-16-31(30-24)17-33-20-10-8-19(9-11-20)18-5-2-1-3-6-18/h1-16H,17H2,(H,29,32)