N-(2-bromanyl-4-methyl-phenyl)-1,3,5-trimethyl-pyrazole-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1,3,5-trimethyl-pyrazole-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1,3,5-trimethyl-pyrazole-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1,3,5-trimethyl-4-pyrazolecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C14H16BrN3O MolecularWeight: 322.20034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=C2C)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=C2C)C)C)Br

InChI

InChI=1S/C14H16BrN3O/c1-8-5-6-12(11(15)7-8)16-14(19)13-9(2)17-18(4)10(13)3/h5-7H,1-4H3,(H,16,19)