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

Systemtic Name: (4aR)-9-bromanyl-3-(3-fluorophenyl)carbonyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-9-bromo-3-(3-fluorobenzoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-9-bromo-3-[(3-fluorophenyl)-oxomethyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-9-bromo-3-(3-fluorobenzoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-9-bromo-3-(3-fluorobenzoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C19H15BrFN3O3 MolecularWeight: 432.243103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrFN3O3/c20-12-4-5-15-14(9-12)19(27)24-7-6-23(10-16(24)17(25)22-15)18(26)11-2-1-3-13(21)8-11/h1-5,8-9,16H,6-7,10H2,(H,22,25)/t16-/m1/s1