(4aR)-9-bromanyl-3-(phenylcarbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Systemtic Name: (4aR)-9-bromanyl-3-(phenylcarbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-3-benzoyl-9-bromo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-3-benzoyl-9-bromo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-3-benzoyl-9-bromo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-3-benzoyl-9-bromo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)C3=CC=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O3/c20-13-6-7-15-14(10-13)19(26)23-9-8-22(11-16(23)17(24)21-15)18(25)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,21,24)/t16-/m1/s1