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

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(2-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Formula: C21H17BrN4O2 MolecularWeight: 437.28928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C21H17BrN4O2/c1-14-5-2-3-7-19(14)28-13-26-12-10-18(25-26)21(27)24-17-9-8-16(22)15-6-4-11-23-20(15)17/h2-12H,13H2,1H3,(H,24,27)