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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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