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

Systemtic Name: 1-(2-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H20BrN3 MolecularWeight: 346.2648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3Br)C4CCC4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3Br)C4CCC4)C1

InChI

InChI=1S/C17H20BrN3/c18-14-9-1-2-10-15(14)21-17-13(8-3-4-11-19-17)16(20-21)12-6-5-7-12/h1-2,9-10,12,20H,3-8,11H2