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

Systemtic Name: 1-ethyl-3-(3-iodanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-ethyl-3-(3-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-ethyl-3-(3-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-ethyl-3-(3-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-ethyl-3-(3-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=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C15H18IN3/c1-2-19-15-13(8-3-4-9-17-15)14(18-19)11-6-5-7-12(16)10-11/h5-7,10,18H,2-4,8-9H2,1H3