3-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide

Systemtic Name: 3-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Openeye Name: 3-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboxamidine CAS Name: 3-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide IUPAC Name: 3-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carboximidamide Traditional Name: 3-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carboxamidine Formula: C14H16IN5 MolecularWeight: 381.21481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C(=N)N)C3=CC=C(C=C3)I)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C(=N)N)C3=CC=C(C=C3)I)C1

InChI

InChI=1S/C14H16IN5/c15-10-6-4-9(5-7-10)12-11-3-1-2-8-18-13(11)20(19-12)14(16)17/h4-7,19H,1-3,8H2,(H3,16,17)