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

Systemtic Name: 1-(4-iodophenyl)-3-naphthalen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-iodophenyl)-3-(2-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-iodophenyl)-3-(2-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-iodophenyl)-3-naphthalen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-iodophenyl)-3-(2-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C23H20IN3 MolecularWeight: 465.32947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5C=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5C=C4)C1

InChI

InChI=1S/C23H20IN3/c24-19-10-12-20(13-11-19)27-23-21(7-3-4-14-25-23)22(26-27)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-13,15,26H,3-4,7,14H2