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

Systemtic Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(furan-2-yl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(2-furyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-3-(3,3-dimethyl-1-oxobutyl)-9-(2-furanyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(furan-2-yl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(2-furyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN2[C@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C22H25N3O4/c1-22(2,3)12-19(26)24-8-9-25-17(13-24)20(27)23-16-7-6-14(11-15(16)21(25)28)18-5-4-10-29-18/h4-7,10-11,17H,8-9,12-13H2,1-3H3,(H,23,27)/t17-/m1/s1