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

Systemtic Name: N-(5-bromanylquinolin-8-yl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-8-quinolyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-8-quinolinyl)-1-[(4-tert-butylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromoquinolin-8-yl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-8-quinolyl)-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Formula: C24H23BrN4O2 MolecularWeight: 479.36902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN4O2/c1-24(2,3)16-6-8-17(9-7-16)31-15-29-14-12-21(28-29)23(30)27-20-11-10-19(25)18-5-4-13-26-22(18)20/h4-14H,15H2,1-3H3,(H,27,30)