(4aR)-9-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylcarbonyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Systemtic Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylcarbonyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-(pyridine-3-carbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-[oxo(3-pyridinyl)methyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-(pyridine-3-carbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-9-(1,3-benzodioxol-5-yl)-3-nicotinoyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C25H20N4O5 MolecularWeight: 456.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)C3=CN=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN2[C@H](CN1C(=O)C3=CN=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H20N4O5/c30-23-20-13-28(24(31)17-2-1-7-26-12-17)8-9-29(20)25(32)18-10-15(3-5-19(18)27-23)16-4-6-21-22(11-16)34-14-33-21/h1-7,10-12,20H,8-9,13-14H2,(H,27,30)/t20-/m1/s1