4-iodanyl-1-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-1-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide Openeye Name: 4-iodo-1-methyl-N-[1-(m-tolylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide CAS Name: 4-iodo-1-methyl-N-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-1-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide Traditional Name: 4-iodo-1-methyl-N-[1-(3-methylbenzyl)pyrazol-4-yl]pyrazole-3-carboxamide Formula: C16H16IN5O MolecularWeight: 421.23561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3I)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3I)C

InChI

InChI=1S/C16H16IN5O/c1-11-4-3-5-12(6-11)8-22-9-13(7-18-22)19-16(23)15-14(17)10-21(2)20-15/h3-7,9-10H,8H2,1-2H3,(H,19,23)