N-(5-bromanylpyridin-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[(2,4-dimethylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O2/c1-12-3-5-16(13(2)9-12)25-11-23-8-7-15(22-23)18(24)21-17-6-4-14(19)10-20-17/h3-10H,11H2,1-2H3,(H,20,21,24)