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

Systemtic Name: 1-(4-iodophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-iodophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-iodophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-iodophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-iodophenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H18IN3 MolecularWeight: 415.27079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18IN3/c20-15-9-11-16(12-10-15)23-19-17(8-4-5-13-21-19)18(22-23)14-6-2-1-3-7-14/h1-3,6-7,9-12,22H,4-5,8,13H2