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

Systemtic Name: (4aR)-9-(4-chlorophenyl)-3-(3,3-dimethylbutanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-9-(4-chlorophenyl)-3-(3,3-dimethylbutanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione CAS Name: (4aR)-9-(4-chlorophenyl)-3-(3,3-dimethyl-1-oxobutyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-9-(4-chlorophenyl)-3-(3,3-dimethylbutanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-9-(4-chlorophenyl)-3-(3,3-dimethylbutanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-24(2,3)13-21(29)27-10-11-28-20(14-27)22(30)26-19-9-6-16(12-18(19)23(28)31)15-4-7-17(25)8-5-15/h4-9,12,20H,10-11,13-14H2,1-3H3,(H,26,30)/t20-/m1/s1