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

Systemtic Name: 3-pyridin-4-yl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Openeye Name: 3-(4-pyridyl)-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine CAS Name: 3-pyridin-4-yl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine IUPAC Name: 3-pyridin-4-yl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]azepine Traditional Name: 3-(4-pyridyl)-1,2,4,5,6,7-hexahydropyrazol[3,4-b]azepine Formula: C12H14N4 MolecularWeight: 214.26636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4/c1-2-6-14-12-10(3-1)11(15-16-12)9-4-7-13-8-5-9/h4-5,7-8H,1-3,6H2,(H2,14,15,16)