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

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H16BrClN4O2 MolecularWeight: 471.73434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN4O2/c1-13-11-14(4-6-17(13)23)29-12-27-10-8-19(26-27)21(28)25-18-7-5-16(22)15-3-2-9-24-20(15)18/h2-11H,12H2,1H3,(H,25,28)