N-(5-bromanylquinolin-8-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(2,6-dimethoxyphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C22H19BrN4O4/c1-29-18-6-3-7-19(30-2)21(18)31-13-27-12-10-17(26-27)22(28)25-16-9-8-15(23)14-5-4-11-24-20(14)16/h3-12H,13H2,1-2H3,(H,25,28)