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

Systemtic Name: 1-(2-ethylphenyl)-3-(2-iodanylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-ethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-ethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-ethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-ethylphenyl)-3-(2-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22IN3 MolecularWeight: 443.32395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CC=C4I

Isomeric SMILES

CCC1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=CC=CC=C4I

InChI

InChI=1S/C21H22IN3/c1-2-15-9-3-6-13-19(15)25-21-17(11-7-8-14-23-21)20(24-25)16-10-4-5-12-18(16)22/h3-6,9-10,12-13,24H,2,7-8,11,14H2,1H3