N-(5-bromanylquinolin-8-yl)-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C22H18BrClN4O2 MolecularWeight: 485.76092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C22H18BrClN4O2/c1-13-10-15(11-14(2)20(13)24)30-12-28-9-7-19(27-28)22(29)26-18-6-5-17(23)16-4-3-8-25-21(16)18/h3-11H,12H2,1-2H3,(H,26,29)