N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C13H18IN5O MolecularWeight: 387.21939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)CCN2C=C(C(=N2)C)I)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)CCN2C=C(C(=N2)C)I)C

InChI

InChI=1S/C13H18IN5O/c1-9-11(7-18(3)16-9)6-15-13(20)4-5-19-8-12(14)10(2)17-19/h7-8H,4-6H2,1-3H3,(H,15,20)