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

Systemtic Name: 3-(3-iodanylphenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3-iodophenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3-iodophenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3-iodophenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3-iodophenyl)-1-methyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C14H16IN3 MolecularWeight: 353.20141

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NCCCCC2=C(N1)C3=CC(=CC=C3)I

Isomeric SMILES

CN1C2=NCCCCC2=C(N1)C3=CC(=CC=C3)I

InChI

InChI=1S/C14H16IN3/c1-18-14-12(7-2-3-8-16-14)13(17-18)10-5-4-6-11(15)9-10/h4-6,9,17H,2-3,7-8H2,1H3