5-[(4aS)-9-(2-fluorophenyl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(4aS)-9-(2-fluorophenyl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[(4aS)-9-(2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[(4aS)-9-(2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[(4aS)-9-(2-fluorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[(4aS)-9-(2-fluorophenyl)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-keto-3,3-dimethyl-valerate Formula: C25H25FN3O5- MolecularWeight: 466.481503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CCN2[C@@H](C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F)CC(=O)[O-]

InChI

InChI=1S/C25H26FN3O5/c1-25(2,13-22(31)32)12-21(30)28-9-10-29-20(14-28)23(33)27-19-8-7-15(11-17(19)24(29)34)16-5-3-4-6-18(16)26/h3-8,11,20H,9-10,12-14H2,1-2H3,(H,27,33)(H,31,32)/p-1/t20-/m0/s1