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

Systemtic Name: 1-ethyl-3-(2-iodanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-ethyl-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-ethyl-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-ethyl-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-ethyl-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C15H18IN3 MolecularWeight: 367.22799

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NCCCCC2=C(N1)C3=CC=CC=C3I

Isomeric SMILES

CCN1C2=NCCCCC2=C(N1)C3=CC=CC=C3I

InChI

InChI=1S/C15H18IN3/c1-2-19-15-12(8-5-6-10-17-15)14(18-19)11-7-3-4-9-13(11)16/h3-4,7,9,18H,2,5-6,8,10H2,1H3