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

Systemtic Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C19H22IN5O2 MolecularWeight: 479.31475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)C)I)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)C)I)C

InChI

InChI=1S/C19H22IN5O2/c1-13-4-5-18(14(2)8-13)27-12-25-10-16(9-21-25)22-19(26)6-7-24-11-17(20)15(3)23-24/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,26)