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

Systemtic Name: (4aR)-3-pyridin-3-ylcarbonyl-9-thiophen-2-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-3-(pyridine-3-carbonyl)-9-(2-thienyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-3-[oxo(3-pyridinyl)methyl]-9-thiophen-2-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-3-(pyridine-3-carbonyl)-9-thiophen-2-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-3-nicotinoyl-9-(2-thienyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)C3=CN=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CS5

Isomeric SMILES

C1CN2[C@H](CN1C(=O)C3=CN=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C22H18N4O3S/c27-20-18-13-25(21(28)15-3-1-7-23-12-15)8-9-26(18)22(29)16-11-14(5-6-17(16)24-20)19-4-2-10-30-19/h1-7,10-12,18H,8-9,13H2,(H,24,27)/t18-/m1/s1