3-(4-iodanyl-5-methyl-pyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(4-iodanyl-5-methyl-pyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(4-iodo-5-methyl-pyrazol-1-yl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-(4-iodo-5-methyl-1-pyrazolyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(4-iodo-5-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-(4-iodo-5-methyl-pyrazol-1-yl)-N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]propionamide Formula: C17H19IN6O MolecularWeight: 450.27683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CCN3C(=C(C=N3)I)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CCN3C(=C(C=N3)I)C

InChI

InChI=1S/C17H19IN6O/c1-12-3-5-14(6-4-12)10-23-11-19-17(22-23)21-16(25)7-8-24-13(2)15(18)9-20-24/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,22,25)