N-[3-aminocarbonyl-5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-5-iodanyl-2-propoxy-pyridine-3-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-5-iodanyl-2-propoxy-pyridine-3-carboxamide Openeye Name: N-[3-carbamoyl-5-ethyl-1-(2-pyridylmethyl)pyrazol-4-yl]-5-iodo-2-propoxy-pyridine-3-carboxamide CAS Name: N-[3-carbamoyl-5-ethyl-1-(2-pyridinylmethyl)-4-pyrazolyl]-5-iodo-2-propoxy-3-pyridinecarboxamide IUPAC Name: N-[3-carbamoyl-5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-5-iodo-2-propoxypyridine-3-carboxamide Traditional Name: N-[3-carbamoyl-5-ethyl-1-(2-pyridylmethyl)pyrazol-4-yl]-5-iodo-2-propoxy-nicotinamide Formula: C21H23IN6O3 MolecularWeight: 534.35019

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)CC3=CC=CC=N3)CC)I

Isomeric SMILES

CCCOC1=NC=C(C=C1C(=O)NC2=C(N(N=C2C(=O)N)CC3=CC=CC=N3)CC)I

InChI

InChI=1S/C21H23IN6O3/c1-3-9-31-21-15(10-13(22)11-25-21)20(30)26-17-16(4-2)28(27-18(17)19(23)29)12-14-7-5-6-8-24-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,23,29)(H,26,30)