1-[1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperidin-4-yl]benzotriazole

Systemtic Name: 1-[1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperidin-4-yl]benzotriazole Openeye Name: 1-[1-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-4-piperidyl]benzotriazole CAS Name: 1-[1-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-4-piperidinyl]benzotriazole IUPAC Name: 1-[1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzotriazole Traditional Name: 1-[1-(5-nitro-6-piperidino-pyrimidin-4-yl)-4-piperidyl]benzotriazole Formula: C20H24N8O2 MolecularWeight: 408.45696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)N4C5=CC=CC=C5N=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N8O2/c29-28(30)18-19(25-10-4-1-5-11-25)21-14-22-20(18)26-12-8-15(9-13-26)27-17-7-3-2-6-16(17)23-24-27/h2-3,6-7,14-15H,1,4-5,8-13H2