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

Systemtic Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(4-methoxyphenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Openeye Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione IUPAC Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(4-methoxyphenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione Traditional Name: (4aR)-3-(3,3-dimethylbutanoyl)-9-(4-methoxyphenyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-quinone Formula: C25H29N3O4 MolecularWeight: 435.51546

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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)OC

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)OC

InChI

InChI=1S/C25H29N3O4/c1-25(2,3)14-22(29)27-11-12-28-21(15-27)23(30)26-20-10-7-17(13-19(20)24(28)31)16-5-8-18(32-4)9-6-16/h5-10,13,21H,11-12,14-15H2,1-4H3,(H,26,30)/t21-/m1/s1