4-bromanyl-N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]benzamide Openeye Name: 4-bromo-N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]benzamide CAS Name: 4-bromo-N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]benzamide IUPAC Name: 4-bromo-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]benzamide Traditional Name: 4-bromo-N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]benzamide Formula: C14H13BrN4O MolecularWeight: 333.18322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Br)CCC#N

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)Br)CCC#N

InChI

InChI=1S/C14H13BrN4O/c1-10-9-13(19(18-10)8-2-7-16)17-14(20)11-3-5-12(15)6-4-11/h3-6,9H,2,8H2,1H3,(H,17,20)