5-[(4aR)-9-(furan-2-yl)-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-(furan-2-yl)-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-(2-furyl)-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-(2-furanyl)-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-(furan-2-yl)-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-(2-furyl)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-5-keto-valerate Formula: C21H20N3O6- MolecularWeight: 410.4

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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)C4=CC=CO4

Isomeric SMILES

C1CN2[C@H](CN1C(=O)CCCC(=O)[O-])C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H21N3O6/c25-18(4-1-5-19(26)27)23-8-9-24-16(12-23)20(28)22-15-7-6-13(11-14(15)21(24)29)17-3-2-10-30-17/h2-3,6-7,10-11,16H,1,4-5,8-9,12H2,(H,22,28)(H,26,27)/p-1/t16-/m1/s1