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

Systemtic Name: 5-[(4aR)-9-bromanyl-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(4aR)-9-bromo-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-oxo-pentanoate CAS Name: 5-[(4aR)-9-bromo-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-oxopentanoate IUPAC Name: 5-[(4aR)-9-bromo-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-oxopentanoate Traditional Name: 5-[(4aR)-9-bromo-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-keto-valerate Formula: C17H17BrN3O5- MolecularWeight: 423.23798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)CCCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1CN2[C@H](CN1C(=O)CCCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O5/c18-10-4-5-12-11(8-10)17(26)21-7-6-20(9-13(21)16(25)19-12)14(22)2-1-3-15(23)24/h4-5,8,13H,1-3,6-7,9H2,(H,19,25)(H,23,24)/p-1/t13-/m1/s1