4-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Openeye Name: 4-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide CAS Name: 4-[[3-(4-iodo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-2-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Traditional Name: 4-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Formula: C17H21IN8O2 MolecularWeight: 496.30551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1I)CCC(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C

Isomeric SMILES

CC1=NN(C=C1I)CCC(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C

InChI

InChI=1S/C17H21IN8O2/c1-11-13(18)10-26(23-11)5-4-15(27)22-14-8-21-25(3)16(14)17(28)19-6-12-7-20-24(2)9-12/h7-10H,4-6H2,1-3H3,(H,19,28)(H,22,27)