2-[4-(9-ethyl-7-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(9-ethyl-7-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-[9-ethyl-7-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[9-ethyl-7-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-(9-ethyl-7-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-[9-ethyl-7-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]piperazino]ethanol Formula: C23H26N8O3 MolecularWeight: 462.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1)[N+](=O)[O-])C(=NCC3=NN=C(N32)N4CCN(CC4)CCO)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC2=C(C(=C1)[N+](=O)[O-])C(=NCC3=NN=C(N32)N4CCN(CC4)CCO)C5=CC=CC=N5

InChI

InChI=1S/C23H26N8O3/c1-2-16-13-18-21(19(14-16)31(33)34)22(17-5-3-4-6-24-17)25-15-20-26-27-23(30(18)20)29-9-7-28(8-10-29)11-12-32/h3-6,13-14,32H,2,7-12,15H2,1H3