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

Systemtic Name: 1-(3-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-bromophenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-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=C3)Br)C4CCC4)C1

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3/c18-13-7-4-8-14(11-13)21-17-15(9-1-2-10-19-17)16(20-21)12-5-3-6-12/h4,7-8,11-12,20H,1-3,5-6,9-10H2