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

Systemtic Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-iodanyl-benzamide Openeye Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-iodo-benzamide CAS Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-iodobenzamide IUPAC Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-iodobenzamide Traditional Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-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=C(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C13H13IN4O/c14-10-5-3-9(4-6-10)13(19)15-8-12-17-16-11-2-1-7-18(11)12/h3-6H,1-2,7-8H2,(H,15,19)