(4aR)-9-(5-chloranyl-2-methoxy-phenyl)-3-ethanoyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Systemtic Name: (4aR)-9-(5-chloranyl-2-methoxy-phenyl)-3-ethanoyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-3-acetyl-9-(5-chloro-2-methoxy-phenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-3-acetyl-9-(5-chloro-2-methoxyphenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-3-acetyl-9-(5-chloro-2-methoxyphenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-3-acetyl-9-(5-chloro-2-methoxy-phenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-12(26)24-7-8-25-18(11-24)20(27)23-17-5-3-13(9-16(17)21(25)28)15-10-14(22)4-6-19(15)29-2/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,23,27)/t18-/m1/s1