N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-iodanyl-benzamide

Systemtic Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-iodanyl-benzamide Openeye Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-iodo-benzamide CAS Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-iodobenzamide IUPAC Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-iodobenzamide Traditional Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-iodo-benzamide Formula: C13H13IN4O MolecularWeight: 368.17299

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NN=C(N2C1)CNC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CC2=NN=C(N2C1)CNC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C13H13IN4O/c14-10-4-1-3-9(7-10)13(19)15-8-12-17-16-11-5-2-6-18(11)12/h1,3-4,7H,2,5-6,8H2,(H,15,19)