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

Systemtic Name: N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-iodanyl-benzamide Openeye Name: N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-iodo-benzamide CAS Name: N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]-4-iodobenzamide IUPAC Name: N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-iodobenzamide Traditional Name: N-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-4-iodo-benzamide Formula: C14H13IN4O MolecularWeight: 380.18369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN4O/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)