(4aR)-9-(1,3-benzodioxol-5-yl)-3-(phenylcarbonyl)-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-(phenylcarbonyl)-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-benzoyl-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-benzoyl-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-benzoyl-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-benzoyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C26H21N3O5 MolecularWeight: 455.46204

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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)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O5/c30-24-21-14-28(25(31)16-4-2-1-3-5-16)10-11-29(21)26(32)19-12-17(6-8-20(19)27-24)18-7-9-22-23(13-18)34-15-33-22/h1-9,12-13,21H,10-11,14-15H2,(H,27,30)/t21-/m1/s1