N-(5-bromanylquinolin-8-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C22H19BrN4O2 MolecularWeight: 451.31586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4)C

InChI

InChI=1S/C22H19BrN4O2/c1-14-5-8-20(15(2)12-14)29-13-27-11-9-19(26-27)22(28)25-18-7-6-17(23)16-4-3-10-24-21(16)18/h3-12H,13H2,1-2H3,(H,25,28)