3-[5-chloranyl-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-iodanyl-1H-pyrazole-5-carboxamide

Systemtic Name: 3-[5-chloranyl-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: 3-(2,4-dibenzyloxy-5-chloro-phenyl)-N-ethyl-4-iodo-1H-pyrazole-5-carboxamide CAS Name: 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: 3-(2,4-dibenzoxy-5-chloro-phenyl)-N-ethyl-4-iodo-1H-pyrazole-5-carboxamide Formula: C26H23ClIN3O3 MolecularWeight: 587.83659

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)I

Isomeric SMILES

CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)I

InChI

InChI=1S/C26H23ClIN3O3/c1-2-29-26(32)25-23(28)24(30-31-25)19-13-20(27)22(34-16-18-11-7-4-8-12-18)14-21(19)33-15-17-9-5-3-6-10-17/h3-14H,2,15-16H2,1H3,(H,29,32)(H,30,31)