(4aS)-9-bromanyl-3-[(2S)-2-(methylamino)propanoyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Systemtic Name: (4aS)-9-bromanyl-3-[(2S)-2-(methylamino)propanoyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aS)-9-bromo-3-[(2S)-2-(methylamino)propanoyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aS)-9-bromo-3-[(2S)-2-(methylamino)-1-oxopropyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aS)-9-bromo-3-[(2S)-2-(methylamino)propanoyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aS)-9-bromo-3-[(2S)-2-(methylamino)propanoyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C16H19BrN4O3 MolecularWeight: 395.25106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)Br)NC

Isomeric SMILES

C[C@@H](C(=O)N1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)Br)NC

InChI

InChI=1S/C16H19BrN4O3/c1-9(18-2)15(23)20-5-6-21-13(8-20)14(22)19-12-4-3-10(17)7-11(12)16(21)24/h3-4,7,9,13,18H,5-6,8H2,1-2H3,(H,19,22)/t9-,13-/m0/s1