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

Systemtic Name: 3-cyclobutyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-cyclobutyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-cyclobutyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-cyclobutyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-cyclobutyl-1-(4-iodophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H20IN3 MolecularWeight: 393.26527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)I)C4CCC4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)I)C4CCC4)C1

InChI

InChI=1S/C17H20IN3/c18-13-7-9-14(10-8-13)21-17-15(6-1-2-11-19-17)16(20-21)12-4-3-5-12/h7-10,12,20H,1-6,11H2