4-bromanyl-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide Formula: C16H16BrN5O2 MolecularWeight: 390.23454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C=NN3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C=NN3)Br)C

InChI

InChI=1S/C16H16BrN5O2/c1-10-3-4-14(11(2)5-10)24-9-22-8-12(6-19-22)20-16(23)15-13(17)7-18-21-15/h3-8H,9H2,1-2H3,(H,18,21)(H,20,23)