3-phenyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine

Systemtic Name: 3-phenyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Openeye Name: 3-phenyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine CAS Name: 3-phenyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine IUPAC Name: 3-phenyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Traditional Name: 3-phenyl-1,2,4,5,6,7-hexahydropyrazol[3,4-b]azepine Formula: C13H15N3 MolecularWeight: 213.2783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2)C3=CC=CC=C3)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2)C3=CC=CC=C3)C1

InChI

InChI=1S/C13H15N3/c1-2-6-10(7-3-1)12-11-8-4-5-9-14-13(11)16-15-12/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16)