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

Systemtic Name: 1-(3-bromophenyl)-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-bromophenyl)-3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-bromophenyl)-3-(2-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-bromophenyl)-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-bromophenyl)-3-(2-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H17BrN4 MolecularWeight: 369.25838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC(=CC=C3)Br)C4=CC=CC=N4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC(=CC=C3)Br)C4=CC=CC=N4)C1

InChI

InChI=1S/C18H17BrN4/c19-13-6-5-7-14(12-13)23-18-15(8-1-3-11-21-18)17(22-23)16-9-2-4-10-20-16/h2,4-7,9-10,12,22H,1,3,8,11H2