[4-(1H-imidazol-5-ylmethyl)-8-nitro-3,6-bis(oxidanylidene)-2,11-bis(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-10-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [4-(1H-imidazol-5-ylmethyl)-8-nitro-3,6-bis(oxidanylidene)-2,11-bis(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-10-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [4-(1H-imidazol-5-ylmethyl)-8-nitro-3,6-dioxo-2,11-bis(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-10-yl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [4-(1H-imidazol-5-ylmethyl)-8-nitro-3,6-dioxo-2,11-bis(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-10-yl] ester IUPAC Name: [4-(1H-imidazol-5-ylmethyl)-8-nitro-3,6-dioxo-2,11-bis(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-10-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [4-(1H-imidazol-5-ylmethyl)-3,6-diketo-8-nitro-2,11-bis(4-phenylbutyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazolin-10-yl] ester Formula: C37H37F3N6O6 MolecularWeight: 718.72149

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C3=C(C=C(C=C3C(=O)N2C(C(=O)N1CCCCC4=CC=CC=C4)CC5=CN=CN5)[N+](=O)[O-])OC(=O)C(F)(F)F)CCCCC6=CC=CC=C6

Isomeric SMILES

C1C2N(C3=C(C=C(C=C3C(=O)N2C(C(=O)N1CCCCC4=CC=CC=C4)CC5=CN=CN5)[N+](=O)[O-])OC(=O)C(F)(F)F)CCCCC6=CC=CC=C6

InChI

InChI=1S/C37H37F3N6O6/c38-37(39,40)36(49)52-31-21-28(46(50)51)20-29-33(31)44(18-10-8-16-26-13-5-2-6-14-26)32-23-43(17-9-7-15-25-11-3-1-4-12-25)35(48)30(45(32)34(29)47)19-27-22-41-24-42-27/h1-6,11-14,20-22,24,30,32H,7-10,15-19,23H2,(H,41,42)