3-phenylmethoxy-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine

Systemtic Name: 3-phenylmethoxy-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine Openeye Name: 3-benzyloxy-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine CAS Name: 3-phenylmethoxy-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine IUPAC Name: 3-phenylmethoxy-1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine Traditional Name: 3-benzoxy-1,4,5,6,7,8-hexahydropyrazol[3,4-d]azepine Formula: C14H17N3O MolecularWeight: 243.30428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C(=NN2)OCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC2=C1C(=NN2)OCC3=CC=CC=C3

InChI

InChI=1S/C14H17N3O/c1-2-4-11(5-3-1)10-18-14-12-6-8-15-9-7-13(12)16-17-14/h1-5,15H,6-10H2,(H,16,17)